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

C32H31N — CID 138493659

IUPACN-(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
SMILESC1=CCCC(C2=CCC(N(C3=CCC(C4=CCC=C4)C=C3)[C@H]3CC=C3c3ccccc3)=C2)=C1
InChIInChI=1S/C32H31N/c1-3-9-25(10-4-1)28-17-20-30(23-28)33(32-22-21-31(32)27-13-5-2-6-14-27)29-18-15-26(16-19-29)24-11-7-8-12-24/h1-3,5-7,9,11-15,17-19,21,23,26,32H,4,8,10,16,20,22H2/t26?,32-/m0/s1
InChIKeyFMOOSOUHCFSFJM-AKWYTYQQSA-N
MW429.61 g/mol
LogP7.98
Rot. Bonds6

About 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

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 (PubChem CID 138493659) has the molecular formula C32H31N and a molecular weight of 429.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID138493659
Molecular FormulaC32H31N
Molecular Weight429.61 g/mol
Exact Mass429.25
IUPAC NameN-(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
SMILESC1=CCCC(C2=CCC(N(C3=CCC(C4=CCC=C4)C=C3)[C@H]3CC=C3c3ccccc3)=C2)=C1
InChIInChI=1S/C32H31N/c1-3-9-25(10-4-1)28-17-20-30(23-28)33(32-22-21-31(32)27-13-5-2-6-14-27)29-18-15-26(16-19-29)24-11-7-8-12-24/h1-3,5-7,9,11-15,17-19,21,23,26,32H,4,8,10,16,20,22H2/t26?,32-/m0/s1
InChIKeyFMOOSOUHCFSFJM-AKWYTYQQSA-N
XLogP7.98
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 ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine
CID 89153783
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
N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline
CID 167135724
(4S)-6-cyclohexa-1,3-dien-1-yl-2-[5-(4,5-diphenylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-(4-phenylcyclohexa-2,4-dien-1-yl)-4,5-dihydropyrimidine
CID 167119193
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline
CID 129145576
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine
CID 166903112
2-[4-(4-bromocyclohexa-1,5-dien-1-yl)-6-methylcyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163545940
2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 166891285
2-cyclohexa-1,3-dien-1-yl-5-phenyl-1λ3-iodacyclohexa-1,3,5-triene
CID 163982380

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCCC(C2=CCC(N(C3=CCC(C4=CCC=C4)C=C3)[C@H]3CC=C3c3ccccc3)=C2)=C1.
What is the InChIKey of 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?
The InChIKey is FMOOSOUHCFSFJM-AKWYTYQQSA-N. The full InChI is InChI=1S/C32H31N/c1-3-9-25(10-4-1)28-17-20-30(23-28)33(32-22-21-31(32)27-13-5-2-6-14-27)29-18-15-26(16-19-29)24-11-7-8-12-24/h1-3,5-7,9,11-15,17-19,21,23,26,32H,4,8,10,16,20,22H2/t26?,32-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 429.61 g/mol, XLogP of 7.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138493659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).