9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole

C45H27N3 — CID 156577794

IUPAC9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole
SMILESc1ccc(-n2c3cc(-n4c5ccccc5c5cccnc54)ccc3c3cccc(-c4cc5cccc6ccc7cccc4c7c65)c32)cc1
InChIInChI=1S/C45H27N3/c1-2-13-31(14-3-1)47-41-27-32(48-40-20-5-4-15-33(40)38-19-9-25-46-45(38)48)23-24-34(41)36-17-8-18-37(44(36)47)39-26-30-12-6-10-28-21-22-29-11-7-16-35(39)43(29)42(28)30/h1-27H
InChIKeyFIHWOJXNZLJJGB-UHFFFAOYSA-N
MW609.73 g/mol
LogP11.84
Rot. Bonds3

About 9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole

9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole (PubChem CID 156577794) has the molecular formula C45H27N3 and a molecular weight of 609.73 g/mol. Its IUPAC name is 9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole
PubChem CID156577794
Molecular FormulaC45H27N3
Molecular Weight609.73 g/mol
Exact Mass609.22
IUPAC Name9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole
SMILESc1ccc(-n2c3cc(-n4c5ccccc5c5cccnc54)ccc3c3cccc(-c4cc5cccc6ccc7cccc4c7c65)c32)cc1
InChIInChI=1S/C45H27N3/c1-2-13-31(14-3-1)47-41-27-32(48-40-20-5-4-15-33(40)38-19-9-25-46-45(38)48)23-24-34(41)36-17-8-18-37(44(36)47)39-26-30-12-6-10-28-21-22-29-11-7-16-35(39)43(29)42(28)30/h1-27H
InChIKeyFIHWOJXNZLJJGB-UHFFFAOYSA-N
XLogP11.84
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(6-pyren-4-yldibenzothiophen-3-yl)pyrido[2,3-b]indole
CID 169276093
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221371
8-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylpyrido[2,3-b]indole
CID 118587088
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221363
9-[4-[6-(6-pyren-1-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 58099084
9-(3-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole
CID 118586973
16-(2-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680827
7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole
CID 118587665
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
9-(9-naphthalen-2-ylcarbazol-1-yl)-5-phenylpyrido[3,2-b]indole
CID 129221541
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
CID 156577704
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole
CID 156577735

Frequently Asked Questions

What is the IUPAC name of 9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole (CID 156577794) is 9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole is c1ccc(-n2c3cc(-n4c5ccccc5c5cccnc54)ccc3c3cccc(-c4cc5cccc6ccc7cccc4c7c65)c32)cc1.
What is the InChIKey of 9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole?
The InChIKey is FIHWOJXNZLJJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3/c1-2-13-31(14-3-1)47-41-27-32(48-40-20-5-4-15-33(40)38-19-9-25-46-45(38)48)23-24-34(41)36-17-8-18-37(44(36)47)39-26-30-12-6-10-28-21-22-29-11-7-16-35(39)43(29)42(28)30/h1-27H.
What are the key properties of 9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole?
9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole has a molecular weight of 609.73 g/mol, XLogP of 11.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-phenyl-8-pyren-4-ylcarbazol-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 156577794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).