3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C41H29N3 — CID 145299536

IUPAC3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESC1=CC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)=CCN1
InChIInChI=1S/C41H29N3/c1-2-8-32(9-3-1)43-38-12-6-4-10-34(38)36-26-30(16-20-40(36)43)31-17-21-41-37(27-31)35-11-5-7-13-39(35)44(41)33-18-14-28(15-19-33)29-22-24-42-25-23-29/h1-24,26-27,42H,25H2
InChIKeyIPLNJOHZQNTZCT-UHFFFAOYSA-N
MW563.70 g/mol
LogP10.05
Rot. Bonds4

About 3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 145299536) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is 3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID145299536
Molecular FormulaC41H29N3
Molecular Weight563.70 g/mol
Exact Mass563.24
IUPAC Name3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESC1=CC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)=CCN1
InChIInChI=1S/C41H29N3/c1-2-8-32(9-3-1)43-38-12-6-4-10-34(38)36-26-30(16-20-40(36)43)31-17-21-41-37(27-31)35-11-5-7-13-39(35)44(41)33-18-14-28(15-19-33)29-22-24-42-25-23-29/h1-24,26-27,42H,25H2
InChIKeyIPLNJOHZQNTZCT-UHFFFAOYSA-N
XLogP10.05
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 ≤ 510.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
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
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole
CID 121466919

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 145299536) is 3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is C1=CC(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)=CCN1.
What is the InChIKey of 3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is IPLNJOHZQNTZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3/c1-2-8-32(9-3-1)43-38-12-6-4-10-34(38)36-26-30(16-20-40(36)43)31-17-21-41-37(27-31)35-11-5-7-13-39(35)44(41)33-18-14-28(15-19-33)29-22-24-42-25-23-29/h1-24,26-27,42H,25H2.
What are the key properties of 3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 563.70 g/mol, XLogP of 10.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 145299536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).