7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine

C56H48N2 — CID 143975307

IUPAC7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
SMILESCCC1(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(C4CCCCC4)c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C56H48N2/c1-3-56(2)52-36-44(31-33-48(52)49-34-32-45(37-53(49)56)58-54-25-11-9-22-50(54)51-23-10-12-26-55(51)58)57(43-20-13-19-41(35-43)38-15-5-4-6-16-38)42-29-27-40(28-30-42)47-24-14-18-39-17-7-8-21-46(39)47/h7-14,17-38H,3-6,15-16H2,1-2H3
InChIKeyXERKOXMMFYJOIZ-UHFFFAOYSA-N
MW749.01 g/mol
LogP15.82
Rot. Bonds7

About 7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine

7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine (PubChem CID 143975307) has the molecular formula C56H48N2 and a molecular weight of 749.01 g/mol. Its IUPAC name is 7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
PubChem CID143975307
Molecular FormulaC56H48N2
Molecular Weight749.01 g/mol
Exact Mass748.38
IUPAC Name7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
SMILESCCC1(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(C4CCCCC4)c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C56H48N2/c1-3-56(2)52-36-44(31-33-48(52)49-34-32-45(37-53(49)56)58-54-25-11-9-22-50(54)51-23-10-12-26-55(51)58)57(43-20-13-19-41(35-43)38-15-5-4-6-16-38)42-29-27-40(28-30-42)47-24-14-18-39-17-7-8-21-46(39)47/h7-14,17-38H,3-6,15-16H2,1-2H3
InChIKeyXERKOXMMFYJOIZ-UHFFFAOYSA-N
XLogP15.82
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.01
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?
The IUPAC name of 7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine (CID 143975307) is 7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?
The canonical SMILES for 7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine is CCC1(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(C4CCCCC4)c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?
The InChIKey is XERKOXMMFYJOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N2/c1-3-56(2)52-36-44(31-33-48(52)49-34-32-45(37-53(49)56)58-54-25-11-9-22-50(54)51-23-10-12-26-55(51)58)57(43-20-13-19-41(35-43)38-15-5-4-6-16-38)42-29-27-40(28-30-42)47-24-14-18-39-17-7-8-21-46(39)47/h7-14,17-38H,3-6,15-16H2,1-2H3.
What are the key properties of 7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?
7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine has a molecular weight of 749.01 g/mol, XLogP of 15.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-N-(3-cyclohexylphenyl)-9-ethyl-9-methyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 143975307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).