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

C40H33FN4 — CID 23593239

IUPAC7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine
SMILESCc1ccc2c3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(F)cc7)cc6n(C)c5c4)cc3n(C)c2c1
InChIInChI=1S/C40H33FN4/c1-26-10-18-33-35-20-16-31(24-39(35)43(3)37(33)22-26)45(29-8-6-5-7-9-29)32-17-21-36-34-19-15-30(23-38(34)44(4)40(36)25-32)42(2)28-13-11-27(41)12-14-28/h5-25H,1-4H3
InChIKeyDXUZIEXEIWDJCA-UHFFFAOYSA-N
MW588.73 g/mol
LogP10.66
Rot. Bonds5

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

7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine (PubChem CID 23593239) has the molecular formula C40H33FN4 and a molecular weight of 588.73 g/mol. Its IUPAC name is 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine.

Molecular Properties

Compound Name7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine
PubChem CID23593239
Molecular FormulaC40H33FN4
Molecular Weight588.73 g/mol
Exact Mass588.27
IUPAC Name7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine
SMILESCc1ccc2c3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(F)cc7)cc6n(C)c5c4)cc3n(C)c2c1
InChIInChI=1S/C40H33FN4/c1-26-10-18-33-35-20-16-31(24-39(35)43(3)37(33)22-26)45(29-8-6-5-7-9-29)32-17-21-36-34-19-15-30(23-38(34)44(4)40(36)25-32)42(2)28-13-11-27(41)12-14-28/h5-25H,1-4H3
InChIKeyDXUZIEXEIWDJCA-UHFFFAOYSA-N
XLogP10.66
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.73
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine?
The IUPAC name of 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine (CID 23593239) is 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine.
What is the SMILES notation for 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine?
The canonical SMILES for 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine is Cc1ccc2c3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(F)cc7)cc6n(C)c5c4)cc3n(C)c2c1.
What is the InChIKey of 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine?
The InChIKey is DXUZIEXEIWDJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33FN4/c1-26-10-18-33-35-20-16-31(24-39(35)43(3)37(33)22-26)45(29-8-6-5-7-9-29)32-17-21-36-34-19-15-30(23-38(34)44(4)40(36)25-32)42(2)28-13-11-27(41)12-14-28/h5-25H,1-4H3.
What are the key properties of 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine?
7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine has a molecular weight of 588.73 g/mol, XLogP of 10.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine is sourced from PubChem (CID 23593239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).