1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol

C35H32N2O — CID 21235184

IUPAC1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
SMILESCc1ccc(C)c(NCC(O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)c1
InChIInChI=1S/C35H32N2O/c1-24-17-18-25(2)32(21-24)36-22-29(38)23-37-34(28-14-7-4-8-15-28)33(27-12-5-3-6-13-27)31-20-19-26-11-9-10-16-30(26)35(31)37/h3-21,29,36,38H,22-23H2,1-2H3
InChIKeyXCSYNLVNXJEEOG-UHFFFAOYSA-N
MW496.65 g/mol
LogP8.22
Rot. Bonds7

About 1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol

1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol (PubChem CID 21235184) has the molecular formula C35H32N2O and a molecular weight of 496.65 g/mol. Its IUPAC name is 1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
PubChem CID21235184
Molecular FormulaC35H32N2O
Molecular Weight496.65 g/mol
Exact Mass496.25
IUPAC Name1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
SMILESCc1ccc(C)c(NCC(O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)c1
InChIInChI=1S/C35H32N2O/c1-24-17-18-25(2)32(21-24)36-22-29(38)23-37-34(28-14-7-4-8-15-28)33(27-12-5-3-6-13-27)31-20-19-26-11-9-10-16-30(26)35(31)37/h3-21,29,36,38H,22-23H2,1-2H3
InChIKeyXCSYNLVNXJEEOG-UHFFFAOYSA-N
XLogP8.22
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9H-carbazol-9-yl)-3-(naphthalen-1-ylamino)propan-2-ol
CID 2836198
1-(Cyclohexylamino)-3-(6-methyl-3,4-dihydro-1H-carbazol-9(2H)-YL)propan-2-OL
CID 961704
Cambridge id 5723280
CID 2864698
1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol
CID 2942140
1-Carbazol-9-yl-3-[(3-methylbutyl)amino]propan-2-ol, chloride
CID 16247239
1-(3,6-dichloro-9H-carbazol-9-yl)-3-(naphthalen-1-ylamino)propan-2-ol
CID 2836199
1-Carbazol-9-yl-3-(2-hydroxy-ethylamino)-propan-2-ol
CID 2859847
1-(3,6-Diiodocarbazol-9-yl)-3-(cyclohexylamino)propan-2-ol
CID 3119532
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfonamide
CID 3738563
1-(2,3-Diphenylindolyl)-3-[4-benzylpiperazinyl]propan-2-ol
CID 4055631
2-(Hydroxymethyl)-2-[(7-methylbenzo[c]carbazol-5-yl)methylamino]propane-1,3-diol;hydrochloride
CID 20065873
N-[(9-ethylcarbazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 2850857

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol (CID 21235184) is 1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol is Cc1ccc(C)c(NCC(O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)c1.
What is the InChIKey of 1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol?
The InChIKey is XCSYNLVNXJEEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O/c1-24-17-18-25(2)32(21-24)36-22-29(38)23-37-34(28-14-7-4-8-15-28)33(27-12-5-3-6-13-27)31-20-19-26-11-9-10-16-30(26)35(31)37/h3-21,29,36,38H,22-23H2,1-2H3.
What are the key properties of 1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol?
1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol has a molecular weight of 496.65 g/mol, XLogP of 8.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol is sourced from PubChem (CID 21235184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).