9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole

C54H39N3 — CID 144976611

IUPAC9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole
SMILESC=C/C(=C\c1c(C)n(-c2ccccc2)c2ccccc12)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1
InChIInChI=1S/C54H39N3/c1-3-38(33-48-37(2)56(44-23-11-6-12-24-44)52-28-15-13-26-46(48)52)42-30-31-54-49(34-42)47-27-14-16-29-53(47)57(54)45-25-17-22-41(32-45)43-35-50(39-18-7-4-8-19-39)55-51(36-43)40-20-9-5-10-21-40/h3-36H,1H2,2H3/b38-33+
InChIKeyUEGSTPMKIKJYME-NNIBMBRCSA-N
MW729.93 g/mol
LogP14.16
Rot. Bonds8

About 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole

9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole (PubChem CID 144976611) has the molecular formula C54H39N3 and a molecular weight of 729.93 g/mol. Its IUPAC name is 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole.

Molecular Properties

Compound Name9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole
PubChem CID144976611
Molecular FormulaC54H39N3
Molecular Weight729.93 g/mol
Exact Mass729.31
IUPAC Name9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole
SMILESC=C/C(=C\c1c(C)n(-c2ccccc2)c2ccccc12)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1
InChIInChI=1S/C54H39N3/c1-3-38(33-48-37(2)56(44-23-11-6-12-24-44)52-28-15-13-26-46(48)52)42-30-31-54-49(34-42)47-27-14-16-29-53(47)57(54)45-25-17-22-41(32-45)43-35-50(39-18-7-4-8-19-39)55-51(36-43)40-20-9-5-10-21-40/h3-36H,1H2,2H3/b38-33+
InChIKeyUEGSTPMKIKJYME-NNIBMBRCSA-N
XLogP14.16
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.93
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71286941
3-[(1E)-1-[5-[(1Z)-buta-1,3-dienyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-dimethylpyrrol-2-yl]buta-1,3-dien-2-yl]-9-phenylcarbazole
CID 142521171
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
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-[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
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 157279504
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-fluorocarbazole
CID 58750647
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
3-[(3Z)-4-[2-methyl-1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]indol-3-yl]buta-1,3-dien-2-yl]-9-phenylcarbazole
CID 138736699
3-carbazol-9-yl-9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 162231924

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole?
The IUPAC name of 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole (CID 144976611) is 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole.
What is the SMILES notation for 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole?
The canonical SMILES for 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole is C=C/C(=C\c1c(C)n(-c2ccccc2)c2ccccc12)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1.
What is the InChIKey of 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole?
The InChIKey is UEGSTPMKIKJYME-NNIBMBRCSA-N. The full InChI is InChI=1S/C54H39N3/c1-3-38(33-48-37(2)56(44-23-11-6-12-24-44)52-28-15-13-26-46(48)52)42-30-31-54-49(34-42)47-27-14-16-29-53(47)57(54)45-25-17-22-41(32-45)43-35-50(39-18-7-4-8-19-39)55-51(36-43)40-20-9-5-10-21-40/h3-36H,1H2,2H3/b38-33+.
What are the key properties of 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole?
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole has a molecular weight of 729.93 g/mol, XLogP of 14.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3-[(1E)-1-(2-methyl-1-phenylindol-3-yl)buta-1,3-dien-2-yl]carbazole is sourced from PubChem (CID 144976611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).