3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole

C41H29N3 — CID 129199948

IUPAC3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole
SMILESC1=CC(c2ccccc2)=CC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)N1
InChIInChI=1S/C41H29N3/c1-3-11-28(12-4-1)31-23-24-42-41(27-31)44-38-18-10-8-16-34(38)36-26-30(20-22-40(36)44)29-19-21-39-35(25-29)33-15-7-9-17-37(33)43(39)32-13-5-2-6-14-32/h1-27,41-42H
InChIKeyJRSVAELIEOTXFB-UHFFFAOYSA-N
MW563.70 g/mol
LogP10.26
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole

3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole (PubChem CID 129199948) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole
PubChem CID129199948
Molecular FormulaC41H29N3
Molecular Weight563.70 g/mol
Exact Mass563.24
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole
SMILESC1=CC(c2ccccc2)=CC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)N1
InChIInChI=1S/C41H29N3/c1-3-11-28(12-4-1)31-23-24-42-41(27-31)44-38-18-10-8-16-34(38)36-26-30(20-22-40(36)44)29-19-21-39-35(25-29)33-15-7-9-17-37(33)43(39)32-13-5-2-6-14-32/h1-27,41-42H
InChIKeyJRSVAELIEOTXFB-UHFFFAOYSA-N
XLogP10.26
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(4,6-diphenyl-1,2-dihydropyridin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146280207
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole
CID 136594209
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 145299536
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
CID 166859669

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole (CID 129199948) is 3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole is C1=CC(c2ccccc2)=CC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)N1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole?
The InChIKey is JRSVAELIEOTXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3/c1-3-11-28(12-4-1)31-23-24-42-41(27-31)44-38-18-10-8-16-34(38)36-26-30(20-22-40(36)44)29-19-21-39-35(25-29)33-15-7-9-17-37(33)43(39)32-13-5-2-6-14-32/h1-27,41-42H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole?
3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole has a molecular weight of 563.70 g/mol, XLogP of 10.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole is sourced from PubChem (CID 129199948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).