9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole

C49H31N5 — CID 168797170

IUPAC9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C49H31N5/c1-2-14-32(15-3-1)43-31-44(52-49(51-43)42-27-26-33-16-4-9-21-41(33)50-42)34-28-35(53-45-22-10-5-17-37(45)38-18-6-11-23-46(38)53)30-36(29-34)54-47-24-12-7-19-39(47)40-20-8-13-25-48(40)54/h1-31H
InChIKeyXEAWKLWHKCQSCT-UHFFFAOYSA-N
MW689.82 g/mol
LogP12.22
Rot. Bonds5

About 9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole

9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 168797170) has the molecular formula C49H31N5 and a molecular weight of 689.82 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole
PubChem CID168797170
Molecular FormulaC49H31N5
Molecular Weight689.82 g/mol
Exact Mass689.26
IUPAC Name9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C49H31N5/c1-2-14-32(15-3-1)43-31-44(52-49(51-43)42-27-26-33-16-4-9-21-41(33)50-42)34-28-35(53-45-22-10-5-17-37(45)38-18-6-11-23-46(38)53)30-36(29-34)54-47-24-12-7-19-39(47)40-20-8-13-25-48(40)54/h1-31H
InChIKeyXEAWKLWHKCQSCT-UHFFFAOYSA-N
XLogP12.22
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole
CID 168797176
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole
CID 169016925
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole
CID 163429920
9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole
CID 58527038
1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138643718
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole
CID 118067290
2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole
CID 158235124
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole
CID 167237232
9-[3-[3-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 58693128

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole (CID 168797170) is 9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole is c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4ccccc4n3)n2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole?
The InChIKey is XEAWKLWHKCQSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5/c1-2-14-32(15-3-1)43-31-44(52-49(51-43)42-27-26-33-16-4-9-21-41(33)50-42)34-28-35(53-45-22-10-5-17-37(45)38-18-6-11-23-46(38)53)30-36(29-34)54-47-24-12-7-19-39(47)40-20-8-13-25-48(40)54/h1-31H.
What are the key properties of 9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole?
9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole has a molecular weight of 689.82 g/mol, XLogP of 12.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole is sourced from PubChem (CID 168797170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).