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

C40H24N4S — CID 90267553

IUPAC19-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
SMILESc1ccc(-c2nc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4ccc5sc6ccccc6c5c43)nc3ccccc23)cc1
InChIInChI=1S/C40H24N4S/c1-3-11-25(12-4-1)38-29-15-7-9-17-32(29)41-40(42-38)44-34-24-33-26(21-22-43(33)27-13-5-2-6-14-27)23-31(34)28-19-20-36-37(39(28)44)30-16-8-10-18-35(30)45-36/h1-24H
InChIKeyIKKCFADWLQVQDS-UHFFFAOYSA-N
MW592.73 g/mol
LogP10.71
Rot. Bonds3

About 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

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 (PubChem CID 90267553) has the molecular formula C40H24N4S and a molecular weight of 592.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name19-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
PubChem CID90267553
Molecular FormulaC40H24N4S
Molecular Weight592.73 g/mol
Exact Mass592.17
IUPAC Name19-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
SMILESc1ccc(-c2nc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4ccc5sc6ccccc6c5c43)nc3ccccc23)cc1
InChIInChI=1S/C40H24N4S/c1-3-11-25(12-4-1)38-29-15-7-9-17-32(29)41-40(42-38)44-34-24-33-26(21-22-43(33)27-13-5-2-6-14-27)23-31(34)28-19-20-36-37(39(28)44)30-16-8-10-18-35(30)45-36/h1-24H
InChIKeyIKKCFADWLQVQDS-UHFFFAOYSA-N
XLogP10.71
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.73
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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
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
12-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 71291222
22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene
CID 118602444
11-[4-(3,5-diphenylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 90231145
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
9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672648

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4ccc5sc6ccccc6c5c43)nc3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is IKKCFADWLQVQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4S/c1-3-11-25(12-4-1)38-29-15-7-9-17-32(29)41-40(42-38)44-34-24-33-26(21-22-43(33)27-13-5-2-6-14-27)23-31(34)28-19-20-36-37(39(28)44)30-16-8-10-18-35(30)45-36/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 592.73 g/mol, XLogP of 10.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90267553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).