17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene

C46H28N4S — CID 90267255

IUPAC17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5cc6ccn(-c7ccccc7)c6cc5c5ccc6sc7ccccc7c6c54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C46H28N4S/c1-3-11-29(12-4-1)30-19-21-31(22-20-30)44-35-15-7-9-17-38(35)47-46(48-44)50-40-27-32-25-26-49(33-13-5-2-6-14-33)39(32)28-37(40)34-23-24-42-43(45(34)50)36-16-8-10-18-41(36)51-42/h1-28H
InChIKeyDWNWBAVKEWAFEH-UHFFFAOYSA-N
MW668.83 g/mol
LogP12.37
Rot. Bonds4

About 17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene

17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene (PubChem CID 90267255) has the molecular formula C46H28N4S and a molecular weight of 668.83 g/mol. Its IUPAC name is 17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene.

Molecular Properties

Compound Name17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
PubChem CID90267255
Molecular FormulaC46H28N4S
Molecular Weight668.83 g/mol
Exact Mass668.20
IUPAC Name17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5cc6ccn(-c7ccccc7)c6cc5c5ccc6sc7ccccc7c6c54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C46H28N4S/c1-3-11-29(12-4-1)30-19-21-31(22-20-30)44-35-15-7-9-17-38(35)47-46(48-44)50-40-27-32-25-26-49(33-13-5-2-6-14-33)39(32)28-37(40)34-23-24-42-43(45(34)50)36-16-8-10-18-41(36)51-42/h1-28H
InChIKeyDWNWBAVKEWAFEH-UHFFFAOYSA-N
XLogP12.37
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.83
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene with MolForge

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Related Compounds

19-phenyl-23-(4-phenylquinazolin-2-yl)-9-thia-19,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene
CID 90267553
17-phenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
CID 90267168
23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-19-phenyl-9-thia-19,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene
CID 90267551
19-phenyl-23-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-19,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene
CID 90267532
14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
CID 90267141
15-[4-(3-phenylphenyl)quinazolin-2-yl]-10-thia-15-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135166051
15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-thia-15-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-[4-(4-phenylphenyl)quinazolin-2-yl]-10-thia-15-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-[3-(4-phenylquinazolin-2-yl)phenyl]-10-thia-15-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene;15-(4-phenylquinazolin-2-yl)-10-thia-15-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 158562027
12-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 71291222
1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568323
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439
19-(4,6-diphenylquinazolin-2-yl)-10-thia-19-azaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.020,25]octacosa-1(17),2(14),3(11),4,6,8,12,15,18(26),20,22,24,27-tridecaene;5-(4-phenylquinazolin-2-yl)-19-thia-5-azaheptacyclo[15.11.0.02,14.04,12.06,11.018,26.020,25]octacosa-1(17),2,4(12),6,8,10,13,15,18(26),20,22,24,27-tridecaene;11-(4-phenylquinazolin-2-yl)-19-thia-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene
CID 159696399
9-(4-phenylquinazolin-2-yl)-18,24-dithia-9-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene
CID 146610266

Frequently Asked Questions

What is the IUPAC name of 17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene?
The IUPAC name of 17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene (CID 90267255) is 17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene.
What is the SMILES notation for 17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene?
The canonical SMILES for 17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene is c1ccc(-c2ccc(-c3nc(-n4c5cc6ccn(-c7ccccc7)c6cc5c5ccc6sc7ccccc7c6c54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene?
The InChIKey is DWNWBAVKEWAFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4S/c1-3-11-29(12-4-1)30-19-21-31(22-20-30)44-35-15-7-9-17-38(35)47-46(48-44)50-40-27-32-25-26-49(33-13-5-2-6-14-33)39(32)28-37(40)34-23-24-42-43(45(34)50)36-16-8-10-18-41(36)51-42/h1-28H.
What are the key properties of 17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene?
17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene has a molecular weight of 668.83 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene is sourced from PubChem (CID 90267255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).