methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate

C30H22N2O2 — CID 90265812

IUPACmethyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc2c(c1)c1c3ccccc3ccc1n2-c1ccccc1
InChIInChI=1S/C30H22N2O2/c1-34-30(33)24-13-7-8-14-26(24)31-21-16-18-27-25(19-21)29-23-12-6-5-9-20(23)15-17-28(29)32(27)22-10-3-2-4-11-22/h2-19,31H,1H3
InChIKeyURBJWDRWKBYWJB-UHFFFAOYSA-N
MW442.52 g/mol
LogP7.47
Rot. Bonds4

About methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate

methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate (PubChem CID 90265812) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate
PubChem CID90265812
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Namemethyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc2c(c1)c1c3ccccc3ccc1n2-c1ccccc1
InChIInChI=1S/C30H22N2O2/c1-34-30(33)24-13-7-8-14-26(24)31-21-16-18-27-25(19-21)29-23-12-6-5-9-20(23)15-17-28(29)32(27)22-10-3-2-4-11-22/h2-19,31H,1H3
InChIKeyURBJWDRWKBYWJB-UHFFFAOYSA-N
XLogP7.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile
CID 121357413
10-methyl-7-phenylbenzo[c]carbazole
CID 66635542
(7-phenylbenzo[c]carbazol-10-yl) trifluoromethanesulfonate
CID 121357430
ethane;N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 144861482
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
15,19,24-triphenyl-15,19,24-triazanonacyclo[19.15.0.02,18.04,16.05,14.06,11.023,35.025,34.028,33]hexatriaconta-1(36),2,4(16),5(14),6,8,10,12,17,21,23(35),25(34),26,28,30,32-hexadecaen-20-one
CID 168933321
6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine
CID 177117021
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
4-benzo[c]phenanthren-5-yl-9-phenylcarbazole
CID 121287474
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
methyl 2-(4-acetamidoanilino)benzoate
CID 112988409

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate?
The IUPAC name of methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate (CID 90265812) is methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate?
The canonical SMILES for methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate is COC(=O)c1ccccc1Nc1ccc2c(c1)c1c3ccccc3ccc1n2-c1ccccc1.
What is the InChIKey of methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate?
The InChIKey is URBJWDRWKBYWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c1-34-30(33)24-13-7-8-14-26(24)31-21-16-18-27-25(19-21)29-23-12-6-5-9-20(23)15-17-28(29)32(27)22-10-3-2-4-11-22/h2-19,31H,1H3.
What are the key properties of methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate?
methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate has a molecular weight of 442.52 g/mol, XLogP of 7.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate is sourced from PubChem (CID 90265812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).