10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C44H26N4 — CID 121298189

IUPAC10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc(-n2c3ccc(-c4cc5c6ccccc6n6c7ccc(-c8ccc9cccnc9c8)cc7c(c4)c56)cc3c3ncccc32)cc1
InChIInChI=1S/C44H26N4/c1-2-9-32(10-3-1)47-41-19-17-29(23-37(41)43-42(47)13-7-21-46-43)31-24-35-33-11-4-5-12-39(33)48-40-18-16-28(22-34(40)36(25-31)44(35)48)30-15-14-27-8-6-20-45-38(27)26-30/h1-26H
InChIKeyFXJKDMVIRIOSKW-UHFFFAOYSA-N
MW610.72 g/mol
LogP11.21
Rot. Bonds3

About 10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 121298189) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID121298189
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc(-n2c3ccc(-c4cc5c6ccccc6n6c7ccc(-c8ccc9cccnc9c8)cc7c(c4)c56)cc3c3ncccc32)cc1
InChIInChI=1S/C44H26N4/c1-2-9-32(10-3-1)47-41-19-17-29(23-37(41)43-42(47)13-7-21-46-43)31-24-35-33-11-4-5-12-39(33)48-40-18-16-28(22-34(40)36(25-31)44(35)48)30-15-14-27-8-6-20-45-38(27)26-30/h1-26H
InChIKeyFXJKDMVIRIOSKW-UHFFFAOYSA-N
XLogP11.21
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

10-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517626
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
8-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587644
10-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118186364
5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221488
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 129221991
8-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221984
8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587585
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 129222031
7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587590

Frequently Asked Questions

What is the IUPAC name of 10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 121298189) is 10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc(-n2c3ccc(-c4cc5c6ccccc6n6c7ccc(-c8ccc9cccnc9c8)cc7c(c4)c56)cc3c3ncccc32)cc1.
What is the InChIKey of 10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is FXJKDMVIRIOSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-2-9-32(10-3-1)47-41-19-17-29(23-37(41)43-42(47)13-7-21-46-43)31-24-35-33-11-4-5-12-39(33)48-40-18-16-28(22-34(40)36(25-31)44(35)48)30-15-14-27-8-6-20-45-38(27)26-30/h1-26H.
What are the key properties of 10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 610.72 g/mol, XLogP of 11.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-phenylpyrido[3,2-b]indol-8-yl)-5-quinolin-7-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 121298189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).