2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine

C42H36FN3 — CID 23593196

IUPAC2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine
SMILESCc1ccc2c(c1)-c1cc(N(c3ccccc3)c3ccc4c5ccc(N(C)c6ccc(F)cc6)cc5n(C)c4c3)ccc1C2(C)C
InChIInChI=1S/C42H36FN3/c1-27-11-21-38-36(23-27)37-24-32(18-22-39(37)42(38,2)3)46(30-9-7-6-8-10-30)33-17-20-35-34-19-16-31(25-40(34)45(5)41(35)26-33)44(4)29-14-12-28(43)13-15-29/h6-26H,1-5H3
InChIKeyFPZSTQBFIHXBGL-UHFFFAOYSA-N
MW601.77 g/mol
LogP11.32
Rot. Bonds5

About 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine

2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine (PubChem CID 23593196) has the molecular formula C42H36FN3 and a molecular weight of 601.77 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine
PubChem CID23593196
Molecular FormulaC42H36FN3
Molecular Weight601.77 g/mol
Exact Mass601.29
IUPAC Name2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine
SMILESCc1ccc2c(c1)-c1cc(N(c3ccccc3)c3ccc4c5ccc(N(C)c6ccc(F)cc6)cc5n(C)c4c3)ccc1C2(C)C
InChIInChI=1S/C42H36FN3/c1-27-11-21-38-36(23-27)37-24-32(18-22-39(37)42(38,2)3)46(30-9-7-6-8-10-30)33-17-20-35-34-19-16-31(25-40(34)45(5)41(35)26-33)44(4)29-14-12-28(43)13-15-29/h6-26H,1-5H3
InChIKeyFPZSTQBFIHXBGL-UHFFFAOYSA-N
XLogP11.32
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.77
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine (CID 23593196) is 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine is Cc1ccc2c(c1)-c1cc(N(c3ccccc3)c3ccc4c5ccc(N(C)c6ccc(F)cc6)cc5n(C)c4c3)ccc1C2(C)C.
What is the InChIKey of 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine?
The InChIKey is FPZSTQBFIHXBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36FN3/c1-27-11-21-38-36(23-27)37-24-32(18-22-39(37)42(38,2)3)46(30-9-7-6-8-10-30)33-17-20-35-34-19-16-31(25-40(34)45(5)41(35)26-33)44(4)29-14-12-28(43)13-15-29/h6-26H,1-5H3.
What are the key properties of 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine?
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine has a molecular weight of 601.77 g/mol, XLogP of 11.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine is sourced from PubChem (CID 23593196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).