9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine

C46H48N2 — CID 70807930

IUPAC9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine
SMILESCCCCCCC1(C)c2cc(C)ccc2-c2ccc(N(c3ccccc3)C3C=CC(c4ccc(N(C)c5ccccc5)cc4)=CC3)cc21
InChIInChI=1S/C46H48N2/c1-5-6-7-14-31-46(3)44-32-34(2)19-29-42(44)43-30-28-41(33-45(43)46)48(39-17-12-9-13-18-39)40-26-22-36(23-27-40)35-20-24-38(25-21-35)47(4)37-15-10-8-11-16-37/h8-13,15-26,28-30,32-33,40H,5-7,14,27,31H2,1-4H3
InChIKeyAIMKNNKVZBWKQN-UHFFFAOYSA-N
MW628.90 g/mol
LogP12.57
Rot. Bonds11

About 9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine

9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine (PubChem CID 70807930) has the molecular formula C46H48N2 and a molecular weight of 628.90 g/mol. Its IUPAC name is 9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine
PubChem CID70807930
Molecular FormulaC46H48N2
Molecular Weight628.90 g/mol
Exact Mass628.38
IUPAC Name9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine
SMILESCCCCCCC1(C)c2cc(C)ccc2-c2ccc(N(c3ccccc3)C3C=CC(c4ccc(N(C)c5ccccc5)cc4)=CC3)cc21
InChIInChI=1S/C46H48N2/c1-5-6-7-14-31-46(3)44-32-34(2)19-29-42(44)43-30-28-41(33-45(43)46)48(39-17-12-9-13-18-39)40-26-22-36(23-27-40)35-20-24-38(25-21-35)47(4)37-15-10-8-11-16-37/h8-13,15-26,28-30,32-33,40H,5-7,14,27,31H2,1-4H3
InChIKeyAIMKNNKVZBWKQN-UHFFFAOYSA-N
XLogP12.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.90
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-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

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
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
CID 58151350
9-hexyl-2,7,9-trimethylfluorene
CID 123978298
4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline
CID 134594820
N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine
CID 58151400
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 134504581
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-methylaniline
CID 58250969
[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-(4-methyl-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-(1H-pyrrol-2-yl)methanone
CID 59273739
5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 139322280
1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine
CID 143286493
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine
CID 58251074

Frequently Asked Questions

What is the IUPAC name of 9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine?
The IUPAC name of 9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine (CID 70807930) is 9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine is CCCCCCC1(C)c2cc(C)ccc2-c2ccc(N(c3ccccc3)C3C=CC(c4ccc(N(C)c5ccccc5)cc4)=CC3)cc21.
What is the InChIKey of 9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine?
The InChIKey is AIMKNNKVZBWKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N2/c1-5-6-7-14-31-46(3)44-32-34(2)19-29-42(44)43-30-28-41(33-45(43)46)48(39-17-12-9-13-18-39)40-26-22-36(23-27-40)35-20-24-38(25-21-35)47(4)37-15-10-8-11-16-37/h8-13,15-26,28-30,32-33,40H,5-7,14,27,31H2,1-4H3.
What are the key properties of 9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine?
9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine has a molecular weight of 628.90 g/mol, XLogP of 12.57, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hexyl-7,9-dimethyl-N-[4-[4-(N-methylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 70807930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).