[4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone

C50H32N2O2 — CID 155444189

IUPAC[4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-n2c3ccccc3c3cc(-c4ccc(C(=O)c5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C50H32N2O2/c53-49(35-11-3-1-4-12-35)37-23-19-33(20-24-37)39-27-29-47-43(31-39)41-15-7-9-17-45(41)51(47)52-46-18-10-8-16-42(46)44-32-40(28-30-48(44)52)34-21-25-38(26-22-34)50(54)36-13-5-2-6-14-36/h1-32H
InChIKeyFJDZINYGZWKLDH-UHFFFAOYSA-N
MW692.82 g/mol
LogP12.01
Rot. Bonds7

About [4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone

[4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone (PubChem CID 155444189) has the molecular formula C50H32N2O2 and a molecular weight of 692.82 g/mol. Its IUPAC name is [4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone
PubChem CID155444189
Molecular FormulaC50H32N2O2
Molecular Weight692.82 g/mol
Exact Mass692.25
IUPAC Name[4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-n2c3ccccc3c3cc(-c4ccc(C(=O)c5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C50H32N2O2/c53-49(35-11-3-1-4-12-35)37-23-19-33(20-24-37)39-27-29-47-43(31-39)41-15-7-9-17-45(41)51(47)52-46-18-10-8-16-42(46)44-32-40(28-30-48(44)52)34-21-25-38(26-22-34)50(54)36-13-5-2-6-14-36/h1-32H
InChIKeyFJDZINYGZWKLDH-UHFFFAOYSA-N
XLogP12.01
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone
CID 121276664
phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone
CID 121276792
phenyl-(4-phenylphenyl)methanone
CID 155775877
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
(Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one
CID 134598525
[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone
CID 70957250
[9-(6-bromohexyl)carbazol-3-yl]-phenylmethanone
CID 142738622
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of [4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone?
The IUPAC name of [4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone (CID 155444189) is [4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-n2c3ccccc3c3cc(-c4ccc(C(=O)c5ccccc5)cc4)ccc32)cc1.
What is the InChIKey of [4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone?
The InChIKey is FJDZINYGZWKLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O2/c53-49(35-11-3-1-4-12-35)37-23-19-33(20-24-37)39-27-29-47-43(31-39)41-15-7-9-17-45(41)51(47)52-46-18-10-8-16-42(46)44-32-40(28-30-48(44)52)34-21-25-38(26-22-34)50(54)36-13-5-2-6-14-36/h1-32H.
What are the key properties of [4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone?
[4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone has a molecular weight of 692.82 g/mol, XLogP of 12.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 155444189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).