2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine

C39H32FN3O — CID 23593189

IUPAC2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine
SMILESCc1ccc(Oc2ccc(N(c3ccccc3)c3ccc4c5ccc(N(C)c6ccc(F)cc6)cc5n(C)c4c3)cc2)cc1
InChIInChI=1S/C39H32FN3O/c1-27-9-19-34(20-10-27)44-35-21-15-31(16-22-35)43(30-7-5-4-6-8-30)33-18-24-37-36-23-17-32(25-38(36)42(3)39(37)26-33)41(2)29-13-11-28(40)12-14-29/h4-26H,1-3H3
InChIKeyIEIPURXLGIXLQI-UHFFFAOYSA-N
MW577.70 g/mol
LogP10.81
Rot. Bonds7

About 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine

2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine (PubChem CID 23593189) has the molecular formula C39H32FN3O and a molecular weight of 577.70 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine
PubChem CID23593189
Molecular FormulaC39H32FN3O
Molecular Weight577.70 g/mol
Exact Mass577.25
IUPAC Name2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine
SMILESCc1ccc(Oc2ccc(N(c3ccccc3)c3ccc4c5ccc(N(C)c6ccc(F)cc6)cc5n(C)c4c3)cc2)cc1
InChIInChI=1S/C39H32FN3O/c1-27-9-19-34(20-10-27)44-35-21-15-31(16-22-35)43(30-7-5-4-6-8-30)33-18-24-37-36-23-17-32(25-38(36)42(3)39(37)26-33)41(2)29-13-11-28(40)12-14-29/h4-26H,1-3H3
InChIKeyIEIPURXLGIXLQI-UHFFFAOYSA-N
XLogP10.81
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.70
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine with MolForge

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Related Compounds

5-[2-(4-Methoxyphenyl)ethyl]-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44126325
5-Benzyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44351103
8-Fluoro-5-[2-(4-methoxyphenyl)ethyl]-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46225027
3-[[4-[(4-Ethoxyphenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole
CID 4351158
2-[3-(4-Fluoro-phenoxy)-propyl]-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 10382508
2-[2-(4-Fluoro-phenoxy)-ethyl]-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 10881882
4-[3-(5-Methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-propoxy]-phenylamine
CID 11035049
5-Ethyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44351139
5-Methyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44351140
5-[(Z)-2-(4-Methoxyphenyl)vinyl]-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46224916
4-[1-(4-fluorophenyl)indol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]-N-methylbutan-1-amine
CID 118720773
N-(2-carbazol-9-ylethyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 9820170

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine (CID 23593189) is 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine is Cc1ccc(Oc2ccc(N(c3ccccc3)c3ccc4c5ccc(N(C)c6ccc(F)cc6)cc5n(C)c4c3)cc2)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine?
The InChIKey is IEIPURXLGIXLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32FN3O/c1-27-9-19-34(20-10-27)44-35-21-15-31(16-22-35)43(30-7-5-4-6-8-30)33-18-24-37-36-23-17-32(25-38(36)42(3)39(37)26-33)41(2)29-13-11-28(40)12-14-29/h4-26H,1-3H3.
What are the key properties of 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine?
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine has a molecular weight of 577.70 g/mol, XLogP of 10.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenylcarbazole-2,7-diamine is sourced from PubChem (CID 23593189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).