9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole

C34H22ClN3 — CID 155019131

IUPAC9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole
SMILESClc1cc(-c2ccccc2)nc(-c2cccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)n1
InChIInChI=1S/C34H22ClN3/c35-33-22-30(24-12-5-2-6-13-24)36-34(37-33)26-14-9-15-27(20-26)38-31-17-8-7-16-28(31)29-21-25(18-19-32(29)38)23-10-3-1-4-11-23/h1-22H
InChIKeyOKIKUJDHXJWWKF-UHFFFAOYSA-N
MW508.02 g/mol
LogP9.23
Rot. Bonds4

About 9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole

9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole (PubChem CID 155019131) has the molecular formula C34H22ClN3 and a molecular weight of 508.02 g/mol. Its IUPAC name is 9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole
PubChem CID155019131
Molecular FormulaC34H22ClN3
Molecular Weight508.02 g/mol
Exact Mass507.15
IUPAC Name9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole
SMILESClc1cc(-c2ccccc2)nc(-c2cccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)n1
InChIInChI=1S/C34H22ClN3/c35-33-22-30(24-12-5-2-6-13-24)36-34(37-33)26-14-9-15-27(20-26)38-31-17-8-7-16-28(31)29-21-25(18-19-32(29)38)23-10-3-1-4-11-23/h1-22H
InChIKeyOKIKUJDHXJWWKF-UHFFFAOYSA-N
XLogP9.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.02
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-(6-chloro-2-phenylpyrimidin-4-yl)phenyl]carbazole
CID 142615117
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
3-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209021
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
3-[9-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 157196382
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158018815
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 118149534
9-(3-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158945712
3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 144573714

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole?
The IUPAC name of 9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole (CID 155019131) is 9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole is Clc1cc(-c2ccccc2)nc(-c2cccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)n1.
What is the InChIKey of 9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole?
The InChIKey is OKIKUJDHXJWWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22ClN3/c35-33-22-30(24-12-5-2-6-13-24)36-34(37-33)26-14-9-15-27(20-26)38-31-17-8-7-16-28(31)29-21-25(18-19-32(29)38)23-10-3-1-4-11-23/h1-22H.
What are the key properties of 9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole?
9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole has a molecular weight of 508.02 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-chloro-6-phenylpyrimidin-2-yl)phenyl]-3-phenylcarbazole is sourced from PubChem (CID 155019131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).