3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole

C54H37N3 — CID 71286941

IUPAC3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)ccc32)cc1
InChIInChI=1S/C54H37N3/c1-36-23-27-43(28-24-36)56-51-21-10-8-19-45(51)47-32-40(25-29-53(47)56)41-26-30-54-48(33-41)46-20-9-11-22-52(46)57(54)44-18-12-17-39(31-44)42-34-49(37-13-4-2-5-14-37)55-50(35-42)38-15-6-3-7-16-38/h2-35H,1H3
InChIKeyFVDDRMQKKHVFKG-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.25
Rot. Bonds6

About 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole

3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole (PubChem CID 71286941) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
PubChem CID71286941
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)ccc32)cc1
InChIInChI=1S/C54H37N3/c1-36-23-27-43(28-24-36)56-51-21-10-8-19-45(51)47-32-40(25-29-53(47)56)41-26-30-54-48(33-41)46-20-9-11-22-52(46)57(54)44-18-12-17-39(31-44)42-34-49(37-13-4-2-5-14-37)55-50(35-42)38-15-6-3-7-16-38/h2-35H,1H3
InChIKeyFVDDRMQKKHVFKG-UHFFFAOYSA-N
XLogP14.25
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
2-[3-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149380
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(4-methylphenyl)carbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 158195477
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 157279504
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
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
2,6-bis[3-[3-[2-(4-methylphenyl)ethyl]phenyl]phenyl]-4-phenylpyridine;3-[3-[4-[4-(3,5-diphenylphenyl)phenyl]-6-[3-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole;3,6-diphenyl-9-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 158218778
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
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole?
The IUPAC name of 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole (CID 71286941) is 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole.
What is the SMILES notation for 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole?
The canonical SMILES for 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)ccc32)cc1.
What is the InChIKey of 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole?
The InChIKey is FVDDRMQKKHVFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-36-23-27-43(28-24-36)56-51-21-10-8-19-45(51)47-32-40(25-29-53(47)56)41-26-30-54-48(33-41)46-20-9-11-22-52(46)57(54)44-18-12-17-39(31-44)42-34-49(37-13-4-2-5-14-37)55-50(35-42)38-15-6-3-7-16-38/h2-35H,1H3.
What are the key properties of 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole?
3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole has a molecular weight of 727.91 g/mol, XLogP of 14.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole is sourced from PubChem (CID 71286941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).