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

C59H45N — CID 156558937

IUPAC9-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
SMILESC1=CCC(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(C5C=CC=CC5c5ccccc5)c4)c4ccc5ccccc5c4-c4ccccc4)cc32)C=C1
InChIInChI=1S/C59H45N/c1-5-20-42(21-6-1)50-31-15-16-32-51(50)45-25-19-30-48(40-45)60(57-39-36-43-22-13-14-33-52(43)58(57)44-23-7-2-8-24-44)49-37-38-54-53-34-17-18-35-55(53)59(56(54)41-49,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-28,30-41,47,50-51H,29H2
InChIKeyCIBSDRLIXHGXJQ-UHFFFAOYSA-N
MW768.02 g/mol
LogP15.42
Rot. Bonds8

About 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

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 (PubChem CID 156558937) has the molecular formula C59H45N and a molecular weight of 768.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID156558937
Molecular FormulaC59H45N
Molecular Weight768.02 g/mol
Exact Mass767.36
IUPAC Name9-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
SMILESC1=CCC(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(C5C=CC=CC5c5ccccc5)c4)c4ccc5ccccc5c4-c4ccccc4)cc32)C=C1
InChIInChI=1S/C59H45N/c1-5-20-42(21-6-1)50-31-15-16-32-51(50)45-25-19-30-48(40-45)60(57-39-36-43-22-13-14-33-52(43)58(57)44-23-7-2-8-24-44)49-37-38-54-53-34-17-18-35-55(53)59(56(54)41-49,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-28,30-41,47,50-51H,29H2
InChIKeyCIBSDRLIXHGXJQ-UHFFFAOYSA-N
XLogP15.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.02
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558180
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
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
N-[4-(11-cyclohexa-2,4-dien-1-yl-11-phenylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-phenyldibenzothiophen-3-amine
CID 170413033
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-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
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 170417565
N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 153471126
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
2-N,2-N'-diphenyl-2-N-(1-phenylnaphthalen-2-yl)-2-N'-[1-(4-phenylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633832
5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098577
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCC(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(C5C=CC=CC5c5ccccc5)c4)c4ccc5ccccc5c4-c4ccccc4)cc32)C=C1.
What is the InChIKey of 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?
The InChIKey is CIBSDRLIXHGXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N/c1-5-20-42(21-6-1)50-31-15-16-32-51(50)45-25-19-30-48(40-45)60(57-39-36-43-22-13-14-33-52(43)58(57)44-23-7-2-8-24-44)49-37-38-54-53-34-17-18-35-55(53)59(56(54)41-49,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-28,30-41,47,50-51H,29H2.
What are the key properties of 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?
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 has a molecular weight of 768.02 g/mol, XLogP of 15.42, 8 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-9-phenyl-N-[3-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 156558937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).