10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine

C32H31N — CID 129146068

IUPAC10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine
SMILESC/C=C\C=C(/C)c1c2ccccc2c(N(C(/C=C\C)=C/C)c2ccccc2)c2ccccc12
InChIInChI=1S/C32H31N/c1-5-8-17-24(4)31-27-20-12-14-22-29(27)32(30-23-15-13-21-28(30)31)33(25(7-3)16-6-2)26-18-10-9-11-19-26/h5-23H,1-4H3/b8-5-,16-6-,24-17+,25-7+
InChIKeyBQFRPWBQRDMGGD-ONIPZIRBSA-N
MW429.61 g/mol
LogP9.59
Rot. Bonds6

About 10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine

10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine (PubChem CID 129146068) has the molecular formula C32H31N and a molecular weight of 429.61 g/mol. Its IUPAC name is 10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine.

Molecular Properties

Compound Name10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine
PubChem CID129146068
Molecular FormulaC32H31N
Molecular Weight429.61 g/mol
Exact Mass429.25
IUPAC Name10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine
SMILESC/C=C\C=C(/C)c1c2ccccc2c(N(C(/C=C\C)=C/C)c2ccccc2)c2ccccc12
InChIInChI=1S/C32H31N/c1-5-8-17-24(4)31-27-20-12-14-22-29(27)32(30-23-15-13-21-28(30)31)33(25(7-3)16-6-2)26-18-10-9-11-19-26/h5-23H,1-4H3/b8-5-,16-6-,24-17+,25-7+
InChIKeyBQFRPWBQRDMGGD-ONIPZIRBSA-N
XLogP9.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814
4-N,9-N-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-N,9-N,6,7-tetraphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline-4,9-diamine
CID 134185766
N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline
CID 142935509
N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-N-phenylphenanthren-9-amine
CID 144756695
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline
CID 144920579
5-hexa-2,4-dien-2-ylbenzo[10]annulene
CID 123186746
ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-N-phenylphenanthren-9-amine
CID 144756694
4-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-N-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anilino)phenyl]-1-N-[4-(N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 154968336
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]phenyl]phenyl]-N-phenylaniline
CID 155279550
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-methyl-N-phenylaniline
CID 143789857
1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(2E,4E)-5-(N-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino)hexa-2,4-dien-2-yl]-3-N-(3-methylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 135251840
ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
CID 142868290

Frequently Asked Questions

What is the IUPAC name of 10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine?
The IUPAC name of 10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine (CID 129146068) is 10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine.
What is the SMILES notation for 10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine?
The canonical SMILES for 10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine is C/C=C\C=C(/C)c1c2ccccc2c(N(C(/C=C\C)=C/C)c2ccccc2)c2ccccc12.
What is the InChIKey of 10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine?
The InChIKey is BQFRPWBQRDMGGD-ONIPZIRBSA-N. The full InChI is InChI=1S/C32H31N/c1-5-8-17-24(4)31-27-20-12-14-22-29(27)32(30-23-15-13-21-28(30)31)33(25(7-3)16-6-2)26-18-10-9-11-19-26/h5-23H,1-4H3/b8-5-,16-6-,24-17+,25-7+.
What are the key properties of 10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine?
10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine has a molecular weight of 429.61 g/mol, XLogP of 9.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylanthracen-9-amine is sourced from PubChem (CID 129146068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).