N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine

C48H44N2 — CID 154937816

IUPACN-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
SMILESC1=CCCC(C2=CC=C(N(C3=CCC(C4=CCC(n5c6ccccc6c6ccccc65)C=C4)C=C3)C3C=CC(c4ccccc4)=CC3)CC2)=C1
InChIInChI=1S/C48H44N2/c1-3-11-35(12-4-1)37-19-27-41(28-20-37)49(42-29-21-38(22-30-42)36-13-5-2-6-14-36)43-31-23-39(24-32-43)40-25-33-44(34-26-40)50-47-17-9-7-15-45(47)46-16-8-10-18-48(46)50/h1-5,7-13,15-21,23,25-27,29,31-33,39,41,44H,6,14,22,24,28,30,34H2
InChIKeyYEWALERIAULBNS-UHFFFAOYSA-N
MW648.89 g/mol
LogP12.28
Rot. Bonds7

About N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine

N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 154937816) has the molecular formula C48H44N2 and a molecular weight of 648.89 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
PubChem CID154937816
Molecular FormulaC48H44N2
Molecular Weight648.89 g/mol
Exact Mass648.35
IUPAC NameN-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
SMILESC1=CCCC(C2=CC=C(N(C3=CCC(C4=CCC(n5c6ccccc6c6ccccc65)C=C4)C=C3)C3C=CC(c4ccccc4)=CC3)CC2)=C1
InChIInChI=1S/C48H44N2/c1-3-11-35(12-4-1)37-19-27-41(28-20-37)49(42-29-21-38(22-30-42)36-13-5-2-6-14-36)43-31-23-39(24-32-43)40-25-33-44(34-26-40)50-47-17-9-7-15-45(47)46-16-8-10-18-48(46)50/h1-5,7-13,15-21,23,25-27,29,31-33,39,41,44H,6,14,22,24,28,30,34H2
InChIKeyYEWALERIAULBNS-UHFFFAOYSA-N
XLogP12.28
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.89
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine with MolForge

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Related Compounds

4-[4-(N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 170235681
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-[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-(3-cyclohexa-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)-4-cyclopenta-1,4-dien-1-yl-N-[(1S)-2-phenylcyclobut-2-en-1-yl]cyclohexa-1,5-dien-1-amine
CID 138493659
N-[4-[(5aS)-1,2,5a,9a-tetrahydrodibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-N-[4-(6-phenyl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(3,4,7,8-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-amine
CID 168805295
4-[4-(3,4,4a,11b-tetrahydrobenzo[a]carbazol-11-yl)cyclohexa-1,5-dien-1-yl]-N-cyclohexa-1,5-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 166953660
N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)-9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine
CID 167154612
9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole
CID 143099598
4,4a-dihydrodibenzothiophene;N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-[[4-[(2Z,4Z)-hepta-2,4,6-trienyl]cyclohexa-1,3-dien-1-yl]-methylamino]cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4,4a-dihydrodibenzothiophen-2-amine;(3Z,5Z)-hepta-1,3,5-triene
CID 145452402
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
3-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-3-N-[4-[4-(N-(4-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexen-1-yl]-5-methyl-1-N,1-N-diphenylcyclohexa-1,3-diene-1,3-diamine
CID 167023127
N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine
CID 134591959

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine (CID 154937816) is N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine is C1=CCCC(C2=CC=C(N(C3=CCC(C4=CCC(n5c6ccccc6c6ccccc65)C=C4)C=C3)C3C=CC(c4ccccc4)=CC3)CC2)=C1.
What is the InChIKey of N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is YEWALERIAULBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44N2/c1-3-11-35(12-4-1)37-19-27-41(28-20-37)49(42-29-21-38(22-30-42)36-13-5-2-6-14-36)43-31-23-39(24-32-43)40-25-33-44(34-26-40)50-47-17-9-7-15-45(47)46-16-8-10-18-48(46)50/h1-5,7-13,15-21,23,25-27,29,31-33,39,41,44H,6,14,22,24,28,30,34H2.
What are the key properties of N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine?
N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 648.89 g/mol, XLogP of 12.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 154937816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).