N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine

C48H46N2 — CID 170003265

IUPACN-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine
SMILESC1=CCCC(c2ccc(-n3c4c(c5ccccc53)=CCC(N(C3=CC=CCC3)c3ccc(C5=CC=C(C6CC=CCC6)CC5)cc3)C=4)cc2)=C1
InChIInChI=1S/C48H46N2/c1-4-12-35(13-5-1)37-20-22-38(23-21-37)40-24-28-42(29-25-40)49(41-16-8-3-9-17-41)44-32-33-46-45-18-10-11-19-47(45)50(48(46)34-44)43-30-26-39(27-31-43)36-14-6-2-7-15-36/h1-4,6,8,10-11,14,16,18-20,22,24-31,33-35,44H,5,7,9,12-13,15,17,21,23,32H2
InChIKeyBVGRVBALVIEVGM-UHFFFAOYSA-N
MW650.91 g/mol
LogP10.90
Rot. Bonds7

About N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine

N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine (PubChem CID 170003265) has the molecular formula C48H46N2 and a molecular weight of 650.91 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine
PubChem CID170003265
Molecular FormulaC48H46N2
Molecular Weight650.91 g/mol
Exact Mass650.37
IUPAC NameN-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine
SMILESC1=CCCC(c2ccc(-n3c4c(c5ccccc53)=CCC(N(C3=CC=CCC3)c3ccc(C5=CC=C(C6CC=CCC6)CC5)cc3)C=4)cc2)=C1
InChIInChI=1S/C48H46N2/c1-4-12-35(13-5-1)37-20-22-38(23-21-37)40-24-28-42(29-25-40)49(41-16-8-3-9-17-41)44-32-33-46-45-18-10-11-19-47(45)50(48(46)34-44)43-30-26-39(27-31-43)36-14-6-2-7-15-36/h1-4,6,8,10-11,14,16,18-20,22,24-31,33-35,44H,5,7,9,12-13,15,17,21,23,32H2
InChIKeyBVGRVBALVIEVGM-UHFFFAOYSA-N
XLogP10.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.91
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole
CID 129022093
N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline
CID 163645184
N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline
CID 139339392
N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
CID 137428152
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 144573357
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 170131651
N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine
CID 170003390
9-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[4-[4-[(5-methylcyclohexa-1,3-dien-1-yl)-[(2R)-9-phenyl-2,3,5,6-tetrahydrocarbazol-2-yl]amino]phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 137468873
3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole
CID 168762802
N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine
CID 170002077
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine
CID 88869751

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine (CID 170003265) is N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine is C1=CCCC(c2ccc(-n3c4c(c5ccccc53)=CCC(N(C3=CC=CCC3)c3ccc(C5=CC=C(C6CC=CCC6)CC5)cc3)C=4)cc2)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine?
The InChIKey is BVGRVBALVIEVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46N2/c1-4-12-35(13-5-1)37-20-22-38(23-21-37)40-24-28-42(29-25-40)49(41-16-8-3-9-17-41)44-32-33-46-45-18-10-11-19-47(45)50(48(46)34-44)43-30-26-39(27-31-43)36-14-6-2-7-15-36/h1-4,6,8,10-11,14,16,18-20,22,24-31,33-35,44H,5,7,9,12-13,15,17,21,23,32H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine?
N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine has a molecular weight of 650.91 g/mol, XLogP of 10.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine is sourced from PubChem (CID 170003265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).