7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine

C57H54N2 — CID 118296565

IUPAC7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCC4)cc3)c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccc4ccccc4c3)C3C=CC(C4CCCC4)=CC3)cc21
InChIInChI=1S/C57H54N2/c1-57(2)55-37-51(58(49-29-23-41-15-7-9-17-45(41)35-49)47-25-19-43(20-26-47)39-11-3-4-12-39)31-33-53(55)54-34-32-52(38-56(54)57)59(50-30-24-42-16-8-10-18-46(42)36-50)48-27-21-44(22-28-48)40-13-5-6-14-40/h7-10,15-27,29-40,48H,3-6,11-14,28H2,1-2H3
InChIKeyGYSJMNJAWYIXGF-UHFFFAOYSA-N
MW767.07 g/mol
LogP16.01
Rot. Bonds8

About 7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine

7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine (PubChem CID 118296565) has the molecular formula C57H54N2 and a molecular weight of 767.07 g/mol. Its IUPAC name is 7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine.

Molecular Properties

Compound Name7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine
PubChem CID118296565
Molecular FormulaC57H54N2
Molecular Weight767.07 g/mol
Exact Mass766.43
IUPAC Name7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCC4)cc3)c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccc4ccccc4c3)C3C=CC(C4CCCC4)=CC3)cc21
InChIInChI=1S/C57H54N2/c1-57(2)55-37-51(58(49-29-23-41-15-7-9-17-45(41)35-49)47-25-19-43(20-26-47)39-11-3-4-12-39)31-33-53(55)54-34-32-52(38-56(54)57)59(50-30-24-42-16-8-10-18-46(42)36-50)48-27-21-44(22-28-48)40-13-5-6-14-40/h7-10,15-27,29-40,48H,3-6,11-14,28H2,1-2H3
InChIKeyGYSJMNJAWYIXGF-UHFFFAOYSA-N
XLogP16.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.07
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine with MolForge

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Related Compounds

N-(4-cyclohexylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-2-yl-4-N-(3-phenylnaphthalen-2-yl)benzene-1,4-diamine
CID 176611704
3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 177286665
9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286768
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
N-(6-cyclohexylnaphthalen-2-yl)-N-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)naphthalen-1-amine;N-(4-cyclohexylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluoren-2-amine
CID 164951510
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylnaphthalen-1-yl)fluoren-2-amine;N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-2-naphthalen-1-ylnaphthalen-1-amine;N-(4-cyclohexylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylnaphthalen-1-yl)fluoren-2-amine
CID 164980542
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933

Frequently Asked Questions

What is the IUPAC name of 7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine?
The IUPAC name of 7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine (CID 118296565) is 7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine.
What is the SMILES notation for 7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine?
The canonical SMILES for 7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine is CC1(C)c2cc(N(c3ccc(C4CCCC4)cc3)c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccc4ccccc4c3)C3C=CC(C4CCCC4)=CC3)cc21.
What is the InChIKey of 7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine?
The InChIKey is GYSJMNJAWYIXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H54N2/c1-57(2)55-37-51(58(49-29-23-41-15-7-9-17-45(41)35-49)47-25-19-43(20-26-47)39-11-3-4-12-39)31-33-53(55)54-34-32-52(38-56(54)57)59(50-30-24-42-16-8-10-18-46(42)36-50)48-27-21-44(22-28-48)40-13-5-6-14-40/h7-10,15-27,29-40,48H,3-6,11-14,28H2,1-2H3.
What are the key properties of 7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine?
7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine has a molecular weight of 767.07 g/mol, XLogP of 16.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(4-cyclopentylcyclohexa-2,4-dien-1-yl)-2-N-(4-cyclopentylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine is sourced from PubChem (CID 118296565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).