N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine

C50H43N — CID 134194377

IUPACN-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine
SMILESC=C/C=C(\C=C)c1ccc(-c2ccc(N(c3ccc(C(/C=C\C)=C/C)cc3)c3cc4c(c5ccccc35)C=CCC4)cc2-c2ccccc2)cc1
InChIInChI=1S/C50H43N/c1-5-16-36(7-3)38-24-26-41(27-25-38)46-33-32-44(35-49(46)40-18-10-9-11-19-40)51(43-30-28-39(29-31-43)37(8-4)17-6-2)50-34-42-20-12-13-21-45(42)47-22-14-15-23-48(47)50/h5-11,13-19,21-35H,1,3,12,20H2,2,4H3/b17-6-,36-16+,37-8+
InChIKeyRMFIPEMABSBANE-FWUQCICRSA-N
MW657.90 g/mol
LogP14.34
Rot. Bonds10

About N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine

N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine (PubChem CID 134194377) has the molecular formula C50H43N and a molecular weight of 657.90 g/mol. Its IUPAC name is N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine
PubChem CID134194377
Molecular FormulaC50H43N
Molecular Weight657.90 g/mol
Exact Mass657.34
IUPAC NameN-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine
SMILESC=C/C=C(\C=C)c1ccc(-c2ccc(N(c3ccc(C(/C=C\C)=C/C)cc3)c3cc4c(c5ccccc35)C=CCC4)cc2-c2ccccc2)cc1
InChIInChI=1S/C50H43N/c1-5-16-36(7-3)38-24-26-41(27-25-38)46-33-32-44(35-49(46)40-18-10-9-11-19-40)51(43-30-28-39(29-31-43)37(8-4)17-6-2)50-34-42-20-12-13-21-45(42)47-22-14-15-23-48(47)50/h5-11,13-19,21-35H,1,3,12,20H2,2,4H3/b17-6-,36-16+,37-8+
InChIKeyRMFIPEMABSBANE-FWUQCICRSA-N
XLogP14.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.90
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine with MolForge

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Related Compounds

N-[4-[4-(cyclodecapentaenyl)phenyl]-3-cyclohexa-1,3-dien-1-ylphenyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenanthren-9-amine
CID 134194378
N-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-phenylphenyl)phenyl]-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 134320776
4-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-2,5-bis[4-(N-phenylanilino)phenyl]-1-N,1-N,4-N-tris(4-phenylphenyl)benzene-1,4-diamine
CID 144761756
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]fluoren-3-amine
CID 156706503
3-hepta-1,3,5-trien-4-yl-N,N-bis(4-phenylphenyl)aniline
CID 123189179
2-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylphenyl]-N,N-bis(3-phenylphenyl)aniline
CID 134219934
(Z)-but-2-ene;3-[2-(4-dibenzofuran-4-ylphenyl)-3-[3-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 144565279
ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390494
N,N-bis(4-dibenzofuran-3-ylphenyl)-4-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]aniline
CID 167257270
[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-N-(2-phenylphenyl)anilino]phenyl]boronic acid
CID 170567798
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine
CID 166660616
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-10,10,12,12-tetramethyl-4-phenyl-N-(4-phenylphenyl)indeno[2,1-b]fluoren-8-amine
CID 142541092

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine?
The IUPAC name of N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine (CID 134194377) is N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine.
What is the SMILES notation for N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine?
The canonical SMILES for N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine is C=C/C=C(\C=C)c1ccc(-c2ccc(N(c3ccc(C(/C=C\C)=C/C)cc3)c3cc4c(c5ccccc35)C=CCC4)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine?
The InChIKey is RMFIPEMABSBANE-FWUQCICRSA-N. The full InChI is InChI=1S/C50H43N/c1-5-16-36(7-3)38-24-26-41(27-25-38)46-33-32-44(35-49(46)40-18-10-9-11-19-40)51(43-30-28-39(29-31-43)37(8-4)17-6-2)50-34-42-20-12-13-21-45(42)47-22-14-15-23-48(47)50/h5-11,13-19,21-35H,1,3,12,20H2,2,4H3/b17-6-,36-16+,37-8+.
What are the key properties of N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine?
N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine has a molecular weight of 657.90 g/mol, XLogP of 14.34, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylphenyl]-1,2-dihydrophenanthren-9-amine is sourced from PubChem (CID 134194377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).