2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine

C42H40N2 — CID 89241256

IUPAC2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine
SMILESC=C/C=C\C(=C/C)N(c1cccc(C)c1)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3cccc(C)c3)ccc1-2
InChIInChI=1S/C42H40N2/c1-7-9-17-32(8-2)43(34-20-13-15-30(3)26-34)36-22-24-38-39-25-23-37(29-41(39)42(5,6)40(38)28-36)44(33-18-11-10-12-19-33)35-21-14-16-31(4)27-35/h7-29H,1H2,2-6H3/b17-9-,32-8+
InChIKeyAMWKUBWWMWMLHW-QKWRAEHBSA-N
MW572.80 g/mol
LogP11.86
Rot. Bonds8

About 2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine

2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine (PubChem CID 89241256) has the molecular formula C42H40N2 and a molecular weight of 572.80 g/mol. Its IUPAC name is 2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine
PubChem CID89241256
Molecular FormulaC42H40N2
Molecular Weight572.80 g/mol
Exact Mass572.32
IUPAC Name2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine
SMILESC=C/C=C\C(=C/C)N(c1cccc(C)c1)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3cccc(C)c3)ccc1-2
InChIInChI=1S/C42H40N2/c1-7-9-17-32(8-2)43(34-20-13-15-30(3)26-34)36-22-24-38-39-25-23-37(29-41(39)42(5,6)40(38)28-36)44(33-18-11-10-12-19-33)35-21-14-16-31(4)27-35/h7-29H,1H2,2-6H3/b17-9-,32-8+
InChIKeyAMWKUBWWMWMLHW-QKWRAEHBSA-N
XLogP11.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.80
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine 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

7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 91484997
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
4-[10-[4-(N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]anilino)phenyl]anthracen-9-yl]-N,N-diphenylaniline
CID 146535858
7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 123499199
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
1,3,3,9,9-pentamethyl-N,N-diphenyl-2-[(1E)-2-(N-phenylanilino)buta-1,3-dienyl]cyclopenta[b]fluoren-7-amine
CID 89049791
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
2-N,7-N-bis(4-ethenylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;4-ethenyl-N-[4-[4-(N-(4-ethenylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine
CID 159874682

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine?
The IUPAC name of 2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine (CID 89241256) is 2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine.
What is the SMILES notation for 2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine?
The canonical SMILES for 2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine is C=C/C=C\C(=C/C)N(c1cccc(C)c1)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3cccc(C)c3)ccc1-2.
What is the InChIKey of 2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine?
The InChIKey is AMWKUBWWMWMLHW-QKWRAEHBSA-N. The full InChI is InChI=1S/C42H40N2/c1-7-9-17-32(8-2)43(34-20-13-15-30(3)26-34)36-22-24-38-39-25-23-37(29-41(39)42(5,6)40(38)28-36)44(33-18-11-10-12-19-33)35-21-14-16-31(4)27-35/h7-29H,1H2,2-6H3/b17-9-,32-8+.
What are the key properties of 2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine?
2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine has a molecular weight of 572.80 g/mol, XLogP of 11.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-7-N-phenylfluorene-2,7-diamine is sourced from PubChem (CID 89241256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).