3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline

C48H41N3 — CID 145373895

IUPAC3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline
SMILESN/C=C/C=C\C=C/C=C/C=C\C=C/c1cc(-c2ccc3c(c2)C2CC=CC=C2N3c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C48H41N3/c49-33-21-8-6-4-2-1-3-5-7-12-22-38-34-40(36-44(35-38)50(41-23-13-9-14-24-41)42-25-15-10-16-26-42)39-31-32-48-46(37-39)45-29-19-20-30-47(45)51(48)43-27-17-11-18-28-43/h1-28,30-37,45H,29,49H2/b3-1+,4-2-,7-5-,8-6-,22-12-,33-21+
InChIKeyWVDFQALOYAIJTB-UMEWEWTKSA-N
MW659.88 g/mol
LogP12.61
Rot. Bonds11

About 3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline

3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline (PubChem CID 145373895) has the molecular formula C48H41N3 and a molecular weight of 659.88 g/mol. Its IUPAC name is 3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline.

Molecular Properties

Compound Name3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline
PubChem CID145373895
Molecular FormulaC48H41N3
Molecular Weight659.88 g/mol
Exact Mass659.33
IUPAC Name3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline
SMILESN/C=C/C=C\C=C/C=C/C=C\C=C/c1cc(-c2ccc3c(c2)C2CC=CC=C2N3c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C48H41N3/c49-33-21-8-6-4-2-1-3-5-7-12-22-38-34-40(36-44(35-38)50(41-23-13-9-14-24-41)42-25-15-10-16-26-42)39-31-32-48-46(37-39)45-29-19-20-30-47(45)51(48)43-27-17-11-18-28-43/h1-28,30-37,45H,29,49H2/b3-1+,4-2-,7-5-,8-6-,22-12-,33-21+
InChIKeyWVDFQALOYAIJTB-UMEWEWTKSA-N
XLogP12.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.88
LogP ≤ 512.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline with MolForge

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Related Compounds

9-phenyl-4,4a-dihydrocarbazole
CID 139382101
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
N-methyl-9-[3-[3-(N-phenylanilino)phenyl]phenyl]-4b,5-dihydrocarbazol-4-amine
CID 144830963
N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline
CID 144907550
N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 167169670
7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine
CID 70819605
N-cyclohexa-1,5-dien-1-yl-4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]-4,4a-dihydrocarbazol-3-yl]-N-phenylaniline
CID 174274998
N-[4-(5,6-dimethyl-9-phenyl-4b,5,6,7-tetrahydrocarbazol-3-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-4-phenylaniline
CID 145377451
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
CID 145340775
3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 167134855
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-4,4a-dihydrocarbazol-2-amine
CID 171444293
7,7-dimethyl-5-phenyl-9-[4-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]naphthalen-1-yl]-1,12b-dihydroindeno[2,1-b]carbazole
CID 88941278

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline?
The IUPAC name of 3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline (CID 145373895) is 3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline.
What is the SMILES notation for 3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline?
The canonical SMILES for 3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline is N/C=C/C=C\C=C/C=C/C=C\C=C/c1cc(-c2ccc3c(c2)C2CC=CC=C2N3c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline?
The InChIKey is WVDFQALOYAIJTB-UMEWEWTKSA-N. The full InChI is InChI=1S/C48H41N3/c49-33-21-8-6-4-2-1-3-5-7-12-22-38-34-40(36-44(35-38)50(41-23-13-9-14-24-41)42-25-15-10-16-26-42)39-31-32-48-46(37-39)45-29-19-20-30-47(45)51(48)43-27-17-11-18-28-43/h1-28,30-37,45H,29,49H2/b3-1+,4-2-,7-5-,8-6-,22-12-,33-21+.
What are the key properties of 3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline?
3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline has a molecular weight of 659.88 g/mol, XLogP of 12.61, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z,3Z,5E,7Z,9Z,11E)-12-aminododeca-1,3,5,7,9,11-hexaenyl]-N,N-diphenyl-5-(9-phenyl-4b,5-dihydrocarbazol-3-yl)aniline is sourced from PubChem (CID 145373895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).