[4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone

C54H32N6O2 — CID 135252680

IUPAC[4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone
SMILESO=C(c1ccc(C(=O)n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)cnc32)cc1)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)cnc21
InChIInChI=1S/C54H32N6O2/c61-53(59-49-23-11-5-17-41(49)43-29-35(31-55-51(43)59)57-45-19-7-1-13-37(45)38-14-2-8-20-46(38)57)33-25-27-34(28-26-33)54(62)60-50-24-12-6-18-42(50)44-30-36(32-56-52(44)60)58-47-21-9-3-15-39(47)40-16-4-10-22-48(40)58/h1-32H
InChIKeyFKLBPQXHWGOSMX-UHFFFAOYSA-N
MW796.89 g/mol
LogP12.26
Rot. Bonds4

About [4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone

[4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone (PubChem CID 135252680) has the molecular formula C54H32N6O2 and a molecular weight of 796.89 g/mol. Its IUPAC name is [4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone.

Molecular Properties

Compound Name[4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone
PubChem CID135252680
Molecular FormulaC54H32N6O2
Molecular Weight796.89 g/mol
Exact Mass796.26
IUPAC Name[4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone
SMILESO=C(c1ccc(C(=O)n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)cnc32)cc1)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)cnc21
InChIInChI=1S/C54H32N6O2/c61-53(59-49-23-11-5-17-41(49)43-29-35(31-55-51(43)59)57-45-19-7-1-13-37(45)38-14-2-8-20-46(38)57)33-25-27-34(28-26-33)54(62)60-50-24-12-6-18-42(50)44-30-36(32-56-52(44)60)58-47-21-9-3-15-39(47)40-16-4-10-22-48(40)58/h1-32H
InChIKeyFKLBPQXHWGOSMX-UHFFFAOYSA-N
XLogP12.26
TPSA79.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.89
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbazol-9-yl-(4-fluorophenyl)methanone
CID 8852543
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
11-[2-[3,5-bis[5-(5-phenylindolo[3,2-b]carbazol-11-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-5-phenylindolo[3,2-b]carbazole
CID 153482869
diethyl pyrido[2,3-b]indole-3,9-dicarboxylate
CID 11723020
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
9-quinolin-3-ylcarbazole
CID 138984974
9-thiophen-3-ylcarbazole-2-carboxylic acid
CID 59626486
[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
CID 58084752
7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole
CID 118529339
(4-chlorophenyl)-(2-hydroxycarbazol-9-yl)methanone
CID 20787891
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
3-methyl-9-phenylpyrido[2,3-b]indole
CID 140770387

Frequently Asked Questions

What is the IUPAC name of [4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone?
The IUPAC name of [4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone (CID 135252680) is [4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone.
What is the SMILES notation for [4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone?
The canonical SMILES for [4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone is O=C(c1ccc(C(=O)n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)cnc32)cc1)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)cnc21.
What is the InChIKey of [4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone?
The InChIKey is FKLBPQXHWGOSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N6O2/c61-53(59-49-23-11-5-17-41(49)43-29-35(31-55-51(43)59)57-45-19-7-1-13-37(45)38-14-2-8-20-46(38)57)33-25-27-34(28-26-33)54(62)60-50-24-12-6-18-42(50)44-30-36(32-56-52(44)60)58-47-21-9-3-15-39(47)40-16-4-10-22-48(40)58/h1-32H.
What are the key properties of [4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone?
[4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone has a molecular weight of 796.89 g/mol, XLogP of 12.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone is sourced from PubChem (CID 135252680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).