2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol

C31H26N2O — CID 121419413

IUPAC2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1Nc1cc2c3ccccc3n(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C31H26N2O/c1-31(2,34)26-17-9-10-18-27(26)32-28-20-25-23-15-8-11-19-29(23)33(21-12-4-3-5-13-21)30(25)24-16-7-6-14-22(24)28/h3-20,32,34H,1-2H3
InChIKeyCJPPUAOMGZJXCM-UHFFFAOYSA-N
MW442.56 g/mol
LogP7.91
Rot. Bonds4

About 2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol

2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol (PubChem CID 121419413) has the molecular formula C31H26N2O and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol
PubChem CID121419413
Molecular FormulaC31H26N2O
Molecular Weight442.56 g/mol
Exact Mass442.20
IUPAC Name2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1Nc1cc2c3ccccc3n(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C31H26N2O/c1-31(2,34)26-17-9-10-18-27(26)32-28-20-25-23-15-8-11-19-29(23)33(21-12-4-3-5-13-21)30(25)24-16-7-6-14-22(24)28/h3-20,32,34H,1-2H3
InChIKeyCJPPUAOMGZJXCM-UHFFFAOYSA-N
XLogP7.91
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole
CID 90014465
5-bromo-11-phenylbenzo[a]carbazole
CID 58410432
12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 170268517
N-(2-chlorophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazol-6-amine
CID 154697324
N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine
CID 177086773
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine
CID 130279544
1,4-ditert-butyl-9-phenylcarbazole
CID 169010323
7-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[c]carbazol-5-amine
CID 145362394
2-(4-bromo-1-phenylindol-2-yl)propan-2-ol
CID 90177081
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole
CID 145320440

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol (CID 121419413) is 2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol is CC(C)(O)c1ccccc1Nc1cc2c3ccccc3n(-c3ccccc3)c2c2ccccc12.
What is the InChIKey of 2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol?
The InChIKey is CJPPUAOMGZJXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O/c1-31(2,34)26-17-9-10-18-27(26)32-28-20-25-23-15-8-11-19-29(23)33(21-12-4-3-5-13-21)30(25)24-16-7-6-14-22(24)28/h3-20,32,34H,1-2H3.
What are the key properties of 2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol?
2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol has a molecular weight of 442.56 g/mol, XLogP of 7.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(11-phenylbenzo[a]carbazol-5-yl)amino]phenyl]propan-2-ol is sourced from PubChem (CID 121419413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).