N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C55H52N2 — CID 144600911

IUPACN-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCCCC/C=C(\C)N(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C55H52N2/c1-7-8-10-17-38(2)56(44-32-34-48-46-20-13-15-22-50(46)54(3,4)52(48)36-44)42-28-24-39(25-29-42)40-26-30-43(31-27-40)57(41-18-11-9-12-19-41)45-33-35-49-47-21-14-16-23-51(47)55(5,6)53(49)37-45/h9,11-37H,7-8,10H2,1-6H3/b38-17+
InChIKeyUYKMLEHRDOLXSN-OAQMXIGCSA-N
MW741.03 g/mol
LogP15.67
Rot. Bonds10

About N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 144600911) has the molecular formula C55H52N2 and a molecular weight of 741.03 g/mol. Its IUPAC name is N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID144600911
Molecular FormulaC55H52N2
Molecular Weight741.03 g/mol
Exact Mass740.41
IUPAC NameN-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCCCC/C=C(\C)N(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C55H52N2/c1-7-8-10-17-38(2)56(44-32-34-48-46-20-13-15-22-50(46)54(3,4)52(48)36-44)42-28-24-39(25-29-42)40-26-30-43(31-27-40)57(41-18-11-9-12-19-41)45-33-35-49-47-21-14-16-23-51(47)55(5,6)53(49)37-45/h9,11-37H,7-8,10H2,1-6H3/b38-17+
InChIKeyUYKMLEHRDOLXSN-OAQMXIGCSA-N
XLogP15.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.03
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-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

4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]methanethiol
CID 164745620
9,9-dimethyl-N-phenyl-N-[4-[4-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 163994090

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 144600911) is N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CCCC/C=C(\C)N(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is UYKMLEHRDOLXSN-OAQMXIGCSA-N. The full InChI is InChI=1S/C55H52N2/c1-7-8-10-17-38(2)56(44-32-34-48-46-20-13-15-22-50(46)54(3,4)52(48)36-44)42-28-24-39(25-29-42)40-26-30-43(31-27-40)57(41-18-11-9-12-19-41)45-33-35-49-47-21-14-16-23-51(47)55(5,6)53(49)37-45/h9,11-37H,7-8,10H2,1-6H3/b38-17+.
What are the key properties of N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 741.03 g/mol, XLogP of 15.67, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 144600911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).