9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine

C58H47N — CID 126548666

IUPAC9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine
SMILESCC1(C)C2=C(C=CC(c3ccccc3)C2)c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)C3C=CC=CC3)cc21
InChIInChI=1S/C58H47N/c1-57(2)52-38-42(40-20-7-3-8-21-40)34-36-47(52)48-37-35-45(39-53(48)57)59(54-32-18-16-28-46(54)41-22-9-4-10-23-41)55-33-19-31-51-56(55)49-29-15-17-30-50(49)58(51,43-24-11-5-12-25-43)44-26-13-6-14-27-44/h3-26,28-37,39,42,44H,27,38H2,1-2H3
InChIKeyZNRGHBHMTIILQI-UHFFFAOYSA-N
MW758.02 g/mol
LogP15.06
Rot. Bonds7

About 9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine

9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine (PubChem CID 126548666) has the molecular formula C58H47N and a molecular weight of 758.02 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine
PubChem CID126548666
Molecular FormulaC58H47N
Molecular Weight758.02 g/mol
Exact Mass757.37
IUPAC Name9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine
SMILESCC1(C)C2=C(C=CC(c3ccccc3)C2)c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)C3C=CC=CC3)cc21
InChIInChI=1S/C58H47N/c1-57(2)52-38-42(40-20-7-3-8-21-40)34-36-47(52)48-37-35-45(39-53(48)57)59(54-32-18-16-28-46(54)41-22-9-4-10-23-41)55-33-19-31-51-56(55)49-29-15-17-30-50(49)58(51,43-24-11-5-12-25-43)44-26-13-6-14-27-44/h3-26,28-37,39,42,44H,27,38H2,1-2H3
InChIKeyZNRGHBHMTIILQI-UHFFFAOYSA-N
XLogP15.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.02
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-cyclohexa-2,4-dien-1-yl-9-phenyl-N-[3-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558937
9-cyclohexa-2,4-dien-1-yl-N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140995
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
N-[9-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 154957217
N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene
CID 144741257
9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 118462727
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745
9-(4-methylphenyl)-7,9-diphenyl-N,N-bis(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 90277846
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170181217

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine?
The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine (CID 126548666) is 9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine?
The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine is CC1(C)C2=C(C=CC(c3ccccc3)C2)c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)C3C=CC=CC3)cc21.
What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine?
The InChIKey is ZNRGHBHMTIILQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N/c1-57(2)52-38-42(40-20-7-3-8-21-40)34-36-47(52)48-37-35-45(39-53(48)57)59(54-32-18-16-28-46(54)41-22-9-4-10-23-41)55-33-19-31-51-56(55)49-29-15-17-30-50(49)58(51,43-24-11-5-12-25-43)44-26-13-6-14-27-44/h3-26,28-37,39,42,44H,27,38H2,1-2H3.
What are the key properties of 9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine?
9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine has a molecular weight of 758.02 g/mol, XLogP of 15.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 126548666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).