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

C75H48N4O3 — CID 58084700

IUPAC[3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone
SMILESO=C(c1cccc(N(c2cccc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2cccc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C75H48N4O3/c80-73(52-22-16-28-58(46-52)77-67-37-7-1-31-61(67)62-32-2-8-38-68(62)77)49-19-13-25-55(43-49)76(56-26-14-20-50(44-56)74(81)53-23-17-29-59(47-53)78-69-39-9-3-33-63(69)64-34-4-10-40-70(64)78)57-27-15-21-51(45-57)75(82)54-24-18-30-60(48-54)79-71-41-11-5-35-65(71)66-36-6-12-42-72(66)79/h1-48H
InChIKeyMGBWFXMJUCINJL-UHFFFAOYSA-N
MW1053.23 g/mol
LogP18.14
Rot. Bonds12

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

[3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone (PubChem CID 58084700) has the molecular formula C75H48N4O3 and a molecular weight of 1053.23 g/mol. Its IUPAC name is [3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone
PubChem CID58084700
Molecular FormulaC75H48N4O3
Molecular Weight1053.23 g/mol
Exact Mass1052.37
IUPAC Name[3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone
SMILESO=C(c1cccc(N(c2cccc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2cccc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C75H48N4O3/c80-73(52-22-16-28-58(46-52)77-67-37-7-1-31-61(67)62-32-2-8-38-68(62)77)49-19-13-25-55(43-49)76(56-26-14-20-50(44-56)74(81)53-23-17-29-59(47-53)78-69-39-9-3-33-63(69)64-34-4-10-40-70(64)78)57-27-15-21-51(45-57)75(82)54-24-18-30-60(48-54)79-71-41-11-5-35-65(71)66-36-6-12-42-72(66)79/h1-48H
InChIKeyMGBWFXMJUCINJL-UHFFFAOYSA-N
XLogP18.14
TPSA69.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.23
LogP ≤ 518.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone?
The IUPAC name of [3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone (CID 58084700) is [3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone.
What is the SMILES notation for [3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone?
The canonical SMILES for [3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone is O=C(c1cccc(N(c2cccc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2cccc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of [3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone?
The InChIKey is MGBWFXMJUCINJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N4O3/c80-73(52-22-16-28-58(46-52)77-67-37-7-1-31-61(67)62-32-2-8-38-68(62)77)49-19-13-25-55(43-49)76(56-26-14-20-50(44-56)74(81)53-23-17-29-59(47-53)78-69-39-9-3-33-63(69)64-34-4-10-40-70(64)78)57-27-15-21-51(45-57)75(82)54-24-18-30-60(48-54)79-71-41-11-5-35-65(71)66-36-6-12-42-72(66)79/h1-48H.
What are the key properties of [3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone?
[3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone has a molecular weight of 1053.23 g/mol, XLogP of 18.14, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-carbazol-9-ylbenzoyl)-N-[3-(3-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]-(3-carbazol-9-ylphenyl)methanone is sourced from PubChem (CID 58084700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).