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

C41H35FN4 — CID 23593240

IUPAC7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-methylphenyl)carbazole-2,7-diamine
SMILESCc1ccc(N(c2ccc3c4ccc(C)cc4n(C)c3c2)c2ccc3c4ccc(N(C)c5ccc(F)cc5)cc4n(C)c3c2)cc1
InChIInChI=1S/C41H35FN4/c1-26-6-11-30(12-7-26)46(32-16-20-36-34-18-8-27(2)22-38(34)44(4)40(36)24-32)33-17-21-37-35-19-15-31(23-39(35)45(5)41(37)25-33)43(3)29-13-9-28(42)10-14-29/h6-25H,1-5H3
InChIKeyYWVGIHRIQTUJCE-UHFFFAOYSA-N
MW602.76 g/mol
LogP10.97
Rot. Bonds5

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

7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-methylphenyl)carbazole-2,7-diamine (PubChem CID 23593240) has the molecular formula C41H35FN4 and a molecular weight of 602.76 g/mol. Its IUPAC name is 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-methylphenyl)carbazole-2,7-diamine.

Molecular Properties

Compound Name7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-methylphenyl)carbazole-2,7-diamine
PubChem CID23593240
Molecular FormulaC41H35FN4
Molecular Weight602.76 g/mol
Exact Mass602.28
IUPAC Name7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-methylphenyl)carbazole-2,7-diamine
SMILESCc1ccc(N(c2ccc3c4ccc(C)cc4n(C)c3c2)c2ccc3c4ccc(N(C)c5ccc(F)cc5)cc4n(C)c3c2)cc1
InChIInChI=1S/C41H35FN4/c1-26-6-11-30(12-7-26)46(32-16-20-36-34-18-8-27(2)22-38(34)44(4)40(36)24-32)33-17-21-37-35-19-15-31(23-39(35)45(5)41(37)25-33)43(3)29-13-9-28(42)10-14-29/h6-25H,1-5H3
InChIKeyYWVGIHRIQTUJCE-UHFFFAOYSA-N
XLogP10.97
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.76
LogP ≤ 510.97
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-(4-methylphenyl)carbazole-2,7-diamine?
The IUPAC name of 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-methylphenyl)carbazole-2,7-diamine (CID 23593240) is 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-methylphenyl)carbazole-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-(4-methylphenyl)carbazole-2,7-diamine?
The canonical SMILES for 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-methylphenyl)carbazole-2,7-diamine is Cc1ccc(N(c2ccc3c4ccc(C)cc4n(C)c3c2)c2ccc3c4ccc(N(C)c5ccc(F)cc5)cc4n(C)c3c2)cc1.
What is the InChIKey of 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-methylphenyl)carbazole-2,7-diamine?
The InChIKey is YWVGIHRIQTUJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35FN4/c1-26-6-11-30(12-7-26)46(32-16-20-36-34-18-8-27(2)22-38(34)44(4)40(36)24-32)33-17-21-37-35-19-15-31(23-39(35)45(5)41(37)25-33)43(3)29-13-9-28(42)10-14-29/h6-25H,1-5H3.
What are the key properties of 7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-methylphenyl)carbazole-2,7-diamine?
7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(4-methylphenyl)carbazole-2,7-diamine has a molecular weight of 602.76 g/mol, XLogP of 10.97, 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-(4-methylphenyl)carbazole-2,7-diamine is sourced from PubChem (CID 23593240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).