12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C250H147N15S5 — CID 163645708

IUPAC12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc5c4sc4ccccc45)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc5c4sc4ccccc45)nc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3cc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc4c3sc3ccccc34)nc3ccccc23)cc1.c1ccc2c(-c3nc(-c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc5c4sc4ccccc45)nc4ccccc34)cccc2c1.c1ccc2cc(-c3nc(-c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc5c4sc4ccccc45)nc4ccccc34)ccc2c1
InChIInChI=1S/2C52H31N3S.2C50H29N3S.C46H27N3S/c1-2-13-32(14-3-1)35-17-12-18-36(29-35)50-41-22-8-10-23-44(41)53-52(54-50)43-31-37(30-42-40-21-9-11-24-47(40)56-51(42)43)55-45-27-25-33-15-4-6-19-38(33)48(45)49-39-20-7-5-16-34(39)26-28-46(49)55;1-2-12-32(13-3-1)33-22-24-36(25-23-33)50-41-19-8-10-20-44(41)53-52(54-50)43-31-37(30-42-40-18-9-11-21-47(40)56-51(42)43)55-45-28-26-34-14-4-6-16-38(34)48(45)49-39-17-7-5-15-35(39)27-29-46(49)55;1-4-16-34-30(12-1)15-11-21-38(34)48-39-20-7-9-22-42(39)51-50(52-48)41-29-33(28-40-37-19-8-10-23-45(37)54-49(40)41)53-43-26-24-31-13-2-5-17-35(31)46(43)47-36-18-6-3-14-32(36)25-27-44(47)53;1-2-14-33-27-34(22-21-30(33)11-1)48-39-18-7-9-19-42(39)51-50(52-48)41-29-35(28-40-38-17-8-10-20-45(38)54-49(40)41)53-43-25-23-31-12-3-5-15-36(31)46(43)47-37-16-6-4-13-32(37)24-26-44(47)53;1-2-14-30(15-3-1)44-35-19-8-10-20-38(35)47-46(48-44)37-27-31(26-36-34-18-9-11-21-41(34)50-45(36)37)49-39-24-22-28-12-4-6-16-32(28)42(39)43-33-17-7-5-13-29(33)23-25-40(43)49/h2*1-31H;2*1-29H;1-27H
InChIKeyIIAOSPBZZPBYHG-UHFFFAOYSA-N
MW3521.37 g/mol
LogP69.32
Rot. Bonds17

About 12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 163645708) has the molecular formula C250H147N15S5 and a molecular weight of 3521.37 g/mol. Its IUPAC name is 12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID163645708
Molecular FormulaC250H147N15S5
Molecular Weight3521.37 g/mol
Exact Mass3518.06
IUPAC Name12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc5c4sc4ccccc45)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc5c4sc4ccccc45)nc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3cc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc4c3sc3ccccc34)nc3ccccc23)cc1.c1ccc2c(-c3nc(-c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc5c4sc4ccccc45)nc4ccccc34)cccc2c1.c1ccc2cc(-c3nc(-c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc5c4sc4ccccc45)nc4ccccc34)ccc2c1
InChIInChI=1S/2C52H31N3S.2C50H29N3S.C46H27N3S/c1-2-13-32(14-3-1)35-17-12-18-36(29-35)50-41-22-8-10-23-44(41)53-52(54-50)43-31-37(30-42-40-21-9-11-24-47(40)56-51(42)43)55-45-27-25-33-15-4-6-19-38(33)48(45)49-39-20-7-5-16-34(39)26-28-46(49)55;1-2-12-32(13-3-1)33-22-24-36(25-23-33)50-41-19-8-10-20-44(41)53-52(54-50)43-31-37(30-42-40-18-9-11-21-47(40)56-51(42)43)55-45-28-26-34-14-4-6-16-38(34)48(45)49-39-17-7-5-15-35(39)27-29-46(49)55;1-4-16-34-30(12-1)15-11-21-38(34)48-39-20-7-9-22-42(39)51-50(52-48)41-29-33(28-40-37-19-8-10-23-45(37)54-49(40)41)53-43-26-24-31-13-2-5-17-35(31)46(43)47-36-18-6-3-14-32(36)25-27-44(47)53;1-2-14-33-27-34(22-21-30(33)11-1)48-39-18-7-9-19-42(39)51-50(52-48)41-29-35(28-40-38-17-8-10-20-45(38)54-49(40)41)53-43-25-23-31-12-3-5-15-36(31)46(43)47-37-16-6-4-13-32(37)24-26-44(47)53;1-2-14-30(15-3-1)44-35-19-8-10-20-38(35)47-46(48-44)37-27-31(26-36-34-18-9-11-21-41(34)50-45(36)37)49-39-24-22-28-12-4-6-16-32(28)42(39)43-33-17-7-5-13-29(33)23-25-40(43)49/h2*1-31H;2*1-29H;1-27H
InChIKeyIIAOSPBZZPBYHG-UHFFFAOYSA-N
XLogP69.32
TPSA153.55 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003521.37
LogP ≤ 569.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 163645708) is 12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc5c4sc4ccccc45)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc5c4sc4ccccc45)nc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3cc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc4c3sc3ccccc34)nc3ccccc23)cc1.c1ccc2c(-c3nc(-c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc5c4sc4ccccc45)nc4ccccc34)cccc2c1.c1ccc2cc(-c3nc(-c4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc5c4sc4ccccc45)nc4ccccc34)ccc2c1.
What is the InChIKey of 12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is IIAOSPBZZPBYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H31N3S.2C50H29N3S.C46H27N3S/c1-2-13-32(14-3-1)35-17-12-18-36(29-35)50-41-22-8-10-23-44(41)53-52(54-50)43-31-37(30-42-40-21-9-11-24-47(40)56-51(42)43)55-45-27-25-33-15-4-6-19-38(33)48(45)49-39-20-7-5-16-34(39)26-28-46(49)55;1-2-12-32(13-3-1)33-22-24-36(25-23-33)50-41-19-8-10-20-44(41)53-52(54-50)43-31-37(30-42-40-18-9-11-21-47(40)56-51(42)43)55-45-28-26-34-14-4-6-16-38(34)48(45)49-39-17-7-5-15-35(39)27-29-46(49)55;1-4-16-34-30(12-1)15-11-21-38(34)48-39-20-7-9-22-42(39)51-50(52-48)41-29-33(28-40-37-19-8-10-23-45(37)54-49(40)41)53-43-26-24-31-13-2-5-17-35(31)46(43)47-36-18-6-3-14-32(36)25-27-44(47)53;1-2-14-33-27-34(22-21-30(33)11-1)48-39-18-7-9-19-42(39)51-50(52-48)41-29-35(28-40-38-17-8-10-20-45(38)54-49(40)41)53-43-25-23-31-12-3-5-15-36(31)46(43)47-37-16-6-4-13-32(37)24-26-44(47)53;1-2-14-30(15-3-1)44-35-19-8-10-20-38(35)47-46(48-44)37-27-31(26-36-34-18-9-11-21-41(34)50-45(36)37)49-39-24-22-28-12-4-6-16-32(28)42(39)43-33-17-7-5-13-29(33)23-25-40(43)49/h2*1-31H;2*1-29H;1-27H.
What are the key properties of 12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 3521.37 g/mol, XLogP of 69.32, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-naphthalen-1-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphthalen-2-ylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 163645708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).