7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine

C39H38N2 — CID 70965419

IUPAC7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine
SMILESCC1(C)C2=CC(N(C3=CCCC=C3)c3ccccc3)CC=C2c2ccc(N(C3=CC=CCC3)c3ccccc3)cc21
InChIInChI=1S/C39H38N2/c1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-5,7-9,11-13,15-17,19-23,25-28,34H,6,10,14,18,24H2,1-2H3
InChIKeyJDMKZLXKHXZUIK-UHFFFAOYSA-N
MW534.75 g/mol
LogP10.17
Rot. Bonds6

About 7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine

7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine (PubChem CID 70965419) has the molecular formula C39H38N2 and a molecular weight of 534.75 g/mol. Its IUPAC name is 7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine.

Molecular Properties

Compound Name7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine
PubChem CID70965419
Molecular FormulaC39H38N2
Molecular Weight534.75 g/mol
Exact Mass534.30
IUPAC Name7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine
SMILESCC1(C)C2=CC(N(C3=CCCC=C3)c3ccccc3)CC=C2c2ccc(N(C3=CC=CCC3)c3ccccc3)cc21
InChIInChI=1S/C39H38N2/c1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-5,7-9,11-13,15-17,19-23,25-28,34H,6,10,14,18,24H2,1-2H3
InChIKeyJDMKZLXKHXZUIK-UHFFFAOYSA-N
XLogP10.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.75
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-cyclohexa-1,5-dien-1-yl-7-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]ethyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine
CID 71016274
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine
CID 70870283
N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine
CID 89189599
N-cyclohexa-1,3-dien-1-yl-7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89049784
9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 131994114
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499
1-N-cyclohexa-2,4-dien-1-yl-4-N-[4-(N-cyclohexa-1,5-dien-1-yl-3-methylanilino)phenyl]-1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 140938297
N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89356008
N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline
CID 154936997
7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89178599

Frequently Asked Questions

What is the IUPAC name of 7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine?
The IUPAC name of 7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine (CID 70965419) is 7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine.
What is the SMILES notation for 7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine?
The canonical SMILES for 7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine is CC1(C)C2=CC(N(C3=CCCC=C3)c3ccccc3)CC=C2c2ccc(N(C3=CC=CCC3)c3ccccc3)cc21.
What is the InChIKey of 7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine?
The InChIKey is JDMKZLXKHXZUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38N2/c1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-5,7-9,11-13,15-17,19-23,25-28,34H,6,10,14,18,24H2,1-2H3.
What are the key properties of 7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine?
7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine has a molecular weight of 534.75 g/mol, XLogP of 10.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine is sourced from PubChem (CID 70965419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).