2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine

C38H30FN3O — CID 70868222

IUPAC2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine
SMILESCN(c1ccc(F)cc1)c1ccc2c3ccc(N(c4ccccc4)c4ccc(Oc5ccccc5)cc4)cc3n(C)c2c1
InChIInChI=1S/C38H30FN3O/c1-40(28-15-13-27(39)14-16-28)31-19-23-35-36-24-20-32(26-38(36)41(2)37(35)25-31)42(29-9-5-3-6-10-29)30-17-21-34(22-18-30)43-33-11-7-4-8-12-33/h3-26H,1-2H3
InChIKeyOEHJBCZQDCZSFG-UHFFFAOYSA-N
MW563.68 g/mol
LogP10.50
Rot. Bonds7

About 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine

2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine (PubChem CID 70868222) has the molecular formula C38H30FN3O and a molecular weight of 563.68 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine
PubChem CID70868222
Molecular FormulaC38H30FN3O
Molecular Weight563.68 g/mol
Exact Mass563.24
IUPAC Name2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine
SMILESCN(c1ccc(F)cc1)c1ccc2c3ccc(N(c4ccccc4)c4ccc(Oc5ccccc5)cc4)cc3n(C)c2c1
InChIInChI=1S/C38H30FN3O/c1-40(28-15-13-27(39)14-16-28)31-19-23-35-36-24-20-32(26-38(36)41(2)37(35)25-31)42(29-9-5-3-6-10-29)30-17-21-34(22-18-30)43-33-11-7-4-8-12-33/h3-26H,1-2H3
InChIKeyOEHJBCZQDCZSFG-UHFFFAOYSA-N
XLogP10.50
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.68
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine (CID 70868222) is 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine is CN(c1ccc(F)cc1)c1ccc2c3ccc(N(c4ccccc4)c4ccc(Oc5ccccc5)cc4)cc3n(C)c2c1.
What is the InChIKey of 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine?
The InChIKey is OEHJBCZQDCZSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30FN3O/c1-40(28-15-13-27(39)14-16-28)31-19-23-35-36-24-20-32(26-38(36)41(2)37(35)25-31)42(29-9-5-3-6-10-29)30-17-21-34(22-18-30)43-33-11-7-4-8-12-33/h3-26H,1-2H3.
What are the key properties of 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine?
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine has a molecular weight of 563.68 g/mol, XLogP of 10.50, 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-phenoxyphenyl)-7-N-phenylcarbazole-2,7-diamine is sourced from PubChem (CID 70868222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).