4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline

C54H61N — CID 58371037

IUPAC4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(Cc4ccccc4)cc3)ccc2-c2ccc(-c3ccc(Nc4ccccc4)cc3)cc21
InChIInChI=1S/C54H61N/c1-3-5-7-9-11-19-37-54(38-20-12-10-8-6-4-2)52-40-46(44-27-25-43(26-28-44)39-42-21-15-13-16-22-42)31-35-50(52)51-36-32-47(41-53(51)54)45-29-33-49(34-30-45)55-48-23-17-14-18-24-48/h13-18,21-36,40-41,55H,3-12,19-20,37-39H2,1-2H3
InChIKeyFKYUWNGKNTYTTB-UHFFFAOYSA-N
MW724.09 g/mol
LogP16.12
Rot. Bonds20

About 4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline

4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline (PubChem CID 58371037) has the molecular formula C54H61N and a molecular weight of 724.09 g/mol. Its IUPAC name is 4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline.

Molecular Properties

Compound Name4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline
PubChem CID58371037
Molecular FormulaC54H61N
Molecular Weight724.09 g/mol
Exact Mass723.48
IUPAC Name4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(Cc4ccccc4)cc3)ccc2-c2ccc(-c3ccc(Nc4ccccc4)cc3)cc21
InChIInChI=1S/C54H61N/c1-3-5-7-9-11-19-37-54(38-20-12-10-8-6-4-2)52-40-46(44-27-25-43(26-28-44)39-42-21-15-13-16-22-42)31-35-50(52)51-36-32-47(41-53(51)54)45-29-33-49(34-30-45)55-48-23-17-14-18-24-48/h13-18,21-36,40-41,55H,3-12,19-20,37-39H2,1-2H3
InChIKeyFKYUWNGKNTYTTB-UHFFFAOYSA-N
XLogP16.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.09
LogP ≤ 516.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline 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-didodecyl-2,7-diphenylfluorene
CID 139911375
N-[4-[4-[4-[4-[4-[(9,9-dihexylfluoren-2-yl)amino]phenyl]phenyl]phenyl]phenyl]phenyl]-9-hexyl-9-pentylfluoren-2-amine
CID 144821084
2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene
CID 58251073
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
N-(4-bromophenyl)-4-[2-(9,9-dihexylfluoren-2-yl)phenyl]aniline
CID 58202612
2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene
CID 130409824
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
9,9-dihexyl-N-[4-(7-methyltriphenylen-2-yl)phenyl]fluoren-2-amine
CID 58250959
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
2-[4-[9,9-dihexyl-7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 101441891
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline?
The IUPAC name of 4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline (CID 58371037) is 4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline.
What is the SMILES notation for 4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline?
The canonical SMILES for 4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(Cc4ccccc4)cc3)ccc2-c2ccc(-c3ccc(Nc4ccccc4)cc3)cc21.
What is the InChIKey of 4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline?
The InChIKey is FKYUWNGKNTYTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H61N/c1-3-5-7-9-11-19-37-54(38-20-12-10-8-6-4-2)52-40-46(44-27-25-43(26-28-44)39-42-21-15-13-16-22-42)31-35-50(52)51-36-32-47(41-53(51)54)45-29-33-49(34-30-45)55-48-23-17-14-18-24-48/h13-18,21-36,40-41,55H,3-12,19-20,37-39H2,1-2H3.
What are the key properties of 4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline?
4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline has a molecular weight of 724.09 g/mol, XLogP of 16.12, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-benzylphenyl)-9,9-dioctylfluoren-2-yl]-N-phenylaniline is sourced from PubChem (CID 58371037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).