[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone

C44H28N2O2 — CID 58084752

IUPAC[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
SMILESO=C(c1cccc(C(=O)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H28N2O2/c47-43(31-14-10-16-33(27-31)45-39-22-5-1-18-35(39)36-19-2-6-23-40(36)45)29-12-9-13-30(26-29)44(48)32-15-11-17-34(28-32)46-41-24-7-3-20-37(41)38-21-4-8-25-42(38)46/h1-28H
InChIKeyICGGULNXRAWDRM-UHFFFAOYSA-N
MW616.72 g/mol
LogP10.34
Rot. Bonds6

About [3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone

[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone (PubChem CID 58084752) has the molecular formula C44H28N2O2 and a molecular weight of 616.72 g/mol. Its IUPAC name is [3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
PubChem CID58084752
Molecular FormulaC44H28N2O2
Molecular Weight616.72 g/mol
Exact Mass616.22
IUPAC Name[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
SMILESO=C(c1cccc(C(=O)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H28N2O2/c47-43(31-14-10-16-33(27-31)45-39-22-5-1-18-35(39)36-19-2-6-23-40(36)45)29-12-9-13-30(26-29)44(48)32-15-11-17-34(28-32)46-41-24-7-3-20-37(41)38-21-4-8-25-42(38)46/h1-28H
InChIKeyICGGULNXRAWDRM-UHFFFAOYSA-N
XLogP10.34
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone
CID 118315223
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
3-carbazol-9-ylbenzenethiol
CID 138734819
CID 140802541
CID 140802541
ethane;9-(3-methylphenyl)carbazole
CID 143904684
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
CID 118315065
[2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone
CID 58084748

Frequently Asked Questions

What is the IUPAC name of [3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone?
The IUPAC name of [3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone (CID 58084752) is [3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone.
What is the SMILES notation for [3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone?
The canonical SMILES for [3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone is O=C(c1cccc(C(=O)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of [3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone?
The InChIKey is ICGGULNXRAWDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O2/c47-43(31-14-10-16-33(27-31)45-39-22-5-1-18-35(39)36-19-2-6-23-40(36)45)29-12-9-13-30(26-29)44(48)32-15-11-17-34(28-32)46-41-24-7-3-20-37(41)38-21-4-8-25-42(38)46/h1-28H.
What are the key properties of [3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone?
[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone has a molecular weight of 616.72 g/mol, XLogP of 10.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone is sourced from PubChem (CID 58084752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).