3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole

C45H29N3 — CID 118067290

IUPAC3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6ccccc6n5)cc4)ccc32)cc1
InChIInChI=1S/C45H29N3/c1-2-11-34(12-3-1)47-42-16-8-5-13-36(42)38-28-32(21-26-44(38)47)33-22-27-45-39(29-33)37-14-6-9-17-43(37)48(45)35-23-18-31(19-24-35)41-25-20-30-10-4-7-15-40(30)46-41/h1-29H
InChIKeyYLMAHMFELVCMKP-UHFFFAOYSA-N
MW611.75 g/mol
LogP11.76
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole

3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole (PubChem CID 118067290) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole
PubChem CID118067290
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6ccccc6n5)cc4)ccc32)cc1
InChIInChI=1S/C45H29N3/c1-2-11-34(12-3-1)47-42-16-8-5-13-36(42)38-28-32(21-26-44(38)47)33-22-27-45-39(29-33)37-14-6-9-17-43(37)48(45)35-23-18-31(19-24-35)41-25-20-30-10-4-7-15-40(30)46-41/h1-29H
InChIKeyYLMAHMFELVCMKP-UHFFFAOYSA-N
XLogP11.76
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-(3-quinolin-2-ylphenyl)carbazole
CID 157225211
3,6-diphenyl-9-(3-quinolin-2-ylphenyl)carbazole
CID 170191453
9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole
CID 168797176
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole
CID 158235124
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole (CID 118067290) is 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6ccccc6n5)cc4)ccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole?
The InChIKey is YLMAHMFELVCMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-2-11-34(12-3-1)47-42-16-8-5-13-36(42)38-28-32(21-26-44(38)47)33-22-27-45-39(29-33)37-14-6-9-17-43(37)48(45)35-23-18-31(19-24-35)41-25-20-30-10-4-7-15-40(30)46-41/h1-29H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole?
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole has a molecular weight of 611.75 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole is sourced from PubChem (CID 118067290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).