3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine

C41H35N — CID 144614370

IUPAC3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
SMILESC=C/C=C(\C=C)N(c1cc2c(c(C=C)c1C=C)-c1ccc(C)cc1C2(C)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C41H35N/c1-7-17-31(8-2)42(38-23-16-19-29-18-14-15-22-34(29)38)39-27-37-40(33(10-4)32(39)9-3)35-25-24-28(5)26-36(35)41(37,6)30-20-12-11-13-21-30/h7-27H,1-4H2,5-6H3/b31-17+
InChIKeyKXHKEYBBBHYHEG-KBVAKVRCSA-N
MW541.74 g/mol
LogP11.16
Rot. Bonds8

About 3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine

3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine (PubChem CID 144614370) has the molecular formula C41H35N and a molecular weight of 541.74 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine.

Molecular Properties

Compound Name3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
PubChem CID144614370
Molecular FormulaC41H35N
Molecular Weight541.74 g/mol
Exact Mass541.28
IUPAC Name3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
SMILESC=C/C=C(\C=C)N(c1cc2c(c(C=C)c1C=C)-c1ccc(C)cc1C2(C)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C41H35N/c1-7-17-31(8-2)42(38-23-16-19-29-18-14-15-22-34(29)38)39-27-37-40(33(10-4)32(39)9-3)35-25-24-28(5)26-36(35)41(37,6)30-20-12-11-13-21-30/h7-27H,1-4H2,5-6H3/b31-17+
InChIKeyKXHKEYBBBHYHEG-KBVAKVRCSA-N
XLogP11.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-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

7-N-(1,2-dihydrodibenzofuran-4-yl)-3,4-bis(ethenyl)-2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine
CID 144613491
4-bromo-2,7,9-trimethyl-9-phenylfluorene
CID 166464478
2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran;9-methyl-N-(4-methylphenyl)-N-naphthalen-1-yl-7,7-diphenylbenzo[c]fluoren-5-amine;toluene
CID 144614123
3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine
CID 144613666
9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 139968338
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine
CID 171453734
N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169064957
ethane;N-(4-methylphenyl)-N-[(3E)-penta-1,3-dien-3-yl]phenanthren-4-amine
CID 145144445
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170217449
9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303515
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
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine
CID 171453614

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine?
The IUPAC name of 3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine (CID 144614370) is 3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine.
What is the SMILES notation for 3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine?
The canonical SMILES for 3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine is C=C/C=C(\C=C)N(c1cc2c(c(C=C)c1C=C)-c1ccc(C)cc1C2(C)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine?
The InChIKey is KXHKEYBBBHYHEG-KBVAKVRCSA-N. The full InChI is InChI=1S/C41H35N/c1-7-17-31(8-2)42(38-23-16-19-29-18-14-15-22-34(29)38)39-27-37-40(33(10-4)32(39)9-3)35-25-24-28(5)26-36(35)41(37,6)30-20-12-11-13-21-30/h7-27H,1-4H2,5-6H3/b31-17+.
What are the key properties of 3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine?
3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine has a molecular weight of 541.74 g/mol, XLogP of 11.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]-7,9-dimethyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine is sourced from PubChem (CID 144614370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).