N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine

C27H27N — CID 144884824

IUPACN-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine
SMILESCC(=C/C=C/C=C/C=C/C=C/NC1=CCCC=C1)c1ccc2ccccc2c1
InChIInChI=1S/C27H27N/c1-23(25-20-19-24-15-11-12-16-26(24)22-25)14-8-5-3-2-4-6-13-21-28-27-17-9-7-10-18-27/h2-6,8-9,11-22,28H,7,10H2,1H3/b3-2+,6-4+,8-5+,21-13+,23-14?
InChIKeyMPOCAVIUKZWFJP-NLJNXJEKSA-N
MW365.52 g/mol
LogP7.25
Rot. Bonds7

About N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine

N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine (PubChem CID 144884824) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine
PubChem CID144884824
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC NameN-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine
SMILESCC(=C/C=C/C=C/C=C/C=C/NC1=CCCC=C1)c1ccc2ccccc2c1
InChIInChI=1S/C27H27N/c1-23(25-20-19-24-15-11-12-16-26(24)22-25)14-8-5-3-2-4-6-13-21-28-27-17-9-7-10-18-27/h2-6,8-9,11-22,28H,7,10H2,1H3/b3-2+,6-4+,8-5+,21-13+,23-14?
InChIKeyMPOCAVIUKZWFJP-NLJNXJEKSA-N
XLogP7.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine with MolForge

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Related Compounds

(E)-2-naphthalen-2-ylprop-1-en-1-ol
CID 70376926
2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene
CID 140698391
3-naphthalen-2-ylbut-2-enoyl chloride
CID 91215732
anthracen-2-yl(cyclohexa-1,5-dien-1-yl)methanone
CID 126606855
methyl (2E,4E)-2-methoxy-5-naphthalen-2-ylhexa-2,4-dienoate
CID 139785095
methyl 3-naphthalen-2-ylbut-2-enoate
CID 54449907
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
2-(1-phenoxyprop-1-en-2-yl)naphthalene
CID 175768409
2-[(2E,4E,6Z)-4,5-dimethyl-6-naphthalen-2-ylocta-2,4,6-trien-2-yl]naphthalene
CID 145347893
ethyl (2E,4E,6Z)-3-methyl-7-naphthalen-2-ylocta-2,4,6-trienoate
CID 88629687
2-[(E)-1-nitroprop-1-en-2-yl]naphthalene
CID 25033772
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(5,6-dihydronaphthalen-2-ylamino)phenyl]-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 142914454

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine (CID 144884824) is N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine is CC(=C/C=C/C=C/C=C/C=C/NC1=CCCC=C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine?
The InChIKey is MPOCAVIUKZWFJP-NLJNXJEKSA-N. The full InChI is InChI=1S/C27H27N/c1-23(25-20-19-24-15-11-12-16-26(24)22-25)14-8-5-3-2-4-6-13-21-28-27-17-9-7-10-18-27/h2-6,8-9,11-22,28H,7,10H2,1H3/b3-2+,6-4+,8-5+,21-13+,23-14?.
What are the key properties of N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine?
N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine has a molecular weight of 365.52 g/mol, XLogP of 7.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 144884824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).