15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C51H32N4OS — CID 142370360

IUPAC15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESCc1ccc2c(c1)c1ccccc1n2-c1nc2c3c(cccc3n1)Sc1c(-c3ccccc3)cccc1-2.c1ccc2c(c1)Oc1cccc3c4ccccc4n-2c13
InChIInChI=1S/C33H21N3S.C18H11NO/c1-20-17-18-28-25(19-20)23-11-5-6-15-27(23)36(28)33-34-26-14-8-16-29-30(26)31(35-33)24-13-7-12-22(32(24)37-29)21-9-3-2-4-10-21;1-2-8-14-12(6-1)13-7-5-11-17-18(13)19(14)15-9-3-4-10-16(15)20-17/h2-19H,1H3;1-11H
InChIKeyRBUXHJFVVJEUAB-UHFFFAOYSA-N
MW748.91 g/mol
LogP13.72
Rot. Bonds2

About 15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 142370360) has the molecular formula C51H32N4OS and a molecular weight of 748.91 g/mol. Its IUPAC name is 15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID142370360
Molecular FormulaC51H32N4OS
Molecular Weight748.91 g/mol
Exact Mass748.23
IUPAC Name15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESCc1ccc2c(c1)c1ccccc1n2-c1nc2c3c(cccc3n1)Sc1c(-c3ccccc3)cccc1-2.c1ccc2c(c1)Oc1cccc3c4ccccc4n-2c13
InChIInChI=1S/C33H21N3S.C18H11NO/c1-20-17-18-28-25(19-20)23-11-5-6-15-27(23)36(28)33-34-26-14-8-16-29-30(26)31(35-33)24-13-7-12-22(32(24)37-29)21-9-3-2-4-10-21;1-2-8-14-12(6-1)13-7-5-11-17-18(13)19(14)15-9-3-4-10-16(15)20-17/h2-19H,1H3;1-11H
InChIKeyRBUXHJFVVJEUAB-UHFFFAOYSA-N
XLogP13.72
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

11-[9-(4-Dibenzothiophen-4-ylquinazolin-2-yl)carbazol-3-yl]-5,17-difluoro-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-3-ol
CID 142461147
5-[9-(4-Dibenzothiophen-4-ylquinazolin-2-yl)carbazol-3-yl]-11,17-difluoro-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 148827136
N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 156324957
N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 156324963
N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 156325071
N-[4-[10-(4-fluorophenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 156325392
10-Phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine
CID 58029157
10,14-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66804998
10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-13-oxa-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,15,17,19-nonaene
CID 68169004
10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 68169071
5-(4,6-Diphenyl-1,3,5-triazin-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 68169072
16-(4,6-Diphenyl-1,3,5-triazin-2-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 68169087

Frequently Asked Questions

What is the IUPAC name of 15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 142370360) is 15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is Cc1ccc2c(c1)c1ccccc1n2-c1nc2c3c(cccc3n1)Sc1c(-c3ccccc3)cccc1-2.c1ccc2c(c1)Oc1cccc3c4ccccc4n-2c13.
What is the InChIKey of 15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is RBUXHJFVVJEUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3S.C18H11NO/c1-20-17-18-28-25(19-20)23-11-5-6-15-27(23)36(28)33-34-26-14-8-16-29-30(26)31(35-33)24-13-7-12-22(32(24)37-29)21-9-3-2-4-10-21;1-2-8-14-12(6-1)13-7-5-11-17-18(13)19(14)15-9-3-4-10-16(15)20-17/h2-19H,1H3;1-11H.
What are the key properties of 15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 748.91 g/mol, XLogP of 13.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3-methylcarbazol-9-yl)-6-phenyl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 142370360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).