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

C47H48N2 — CID 71016274

IUPACN-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
SMILESCC1(C)C2=CC(N(C3=CCCC=C3)c3ccccc3)CC=C2c2ccc(CCC3=CC=C(N(C4=CC=CCC4)c4ccccc4)CC3)cc21
InChIInChI=1S/C47H48N2/c1-47(2)45-33-36(24-23-35-25-28-41(29-26-35)48(37-15-7-3-8-16-37)38-17-9-4-10-18-38)27-31-43(45)44-32-30-42(34-46(44)47)49(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-5,7-9,11-13,15-17,19-22,25,27-28,31-34,42H,6,10,14,18,23-24,26,29-30H2,1-2H3
InChIKeyWFXLUKJXCHAPGH-UHFFFAOYSA-N
MW640.92 g/mol
LogP12.08
Rot. Bonds9

About 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

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 (PubChem CID 71016274) has the molecular formula C47H48N2 and a molecular weight of 640.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID71016274
Molecular FormulaC47H48N2
Molecular Weight640.92 g/mol
Exact Mass640.38
IUPAC NameN-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
SMILESCC1(C)C2=CC(N(C3=CCCC=C3)c3ccccc3)CC=C2c2ccc(CCC3=CC=C(N(C4=CC=CCC4)c4ccccc4)CC3)cc21
InChIInChI=1S/C47H48N2/c1-47(2)45-33-36(24-23-35-25-28-41(29-26-35)48(37-15-7-3-8-16-37)38-17-9-4-10-18-38)27-31-43(45)44-32-30-42(34-46(44)47)49(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-5,7-9,11-13,15-17,19-22,25,27-28,31-34,42H,6,10,14,18,23-24,26,29-30H2,1-2H3
InChIKeyWFXLUKJXCHAPGH-UHFFFAOYSA-N
XLogP12.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.92
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine
CID 70870283
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
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-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
9,9-dimethyl-2-N,2-N,5-N,5-N-tetraphenyl-2,3-dihydrofluorene-2,5-diamine
CID 146269900
7-carbazol-9-yl-9,9-dimethyl-N-[4-(4-methylidenecyclohex-2-en-1-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-2,3-dihydrofluoren-2-amine
CID 167056731
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C2=CC(N(C3=CCCC=C3)c3ccccc3)CC=C2c2ccc(CCC3=CC=C(N(C4=CC=CCC4)c4ccccc4)CC3)cc21.
What is the InChIKey of 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?
The InChIKey is WFXLUKJXCHAPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H48N2/c1-47(2)45-33-36(24-23-35-25-28-41(29-26-35)48(37-15-7-3-8-16-37)38-17-9-4-10-18-38)27-31-43(45)44-32-30-42(34-46(44)47)49(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-5,7-9,11-13,15-17,19-22,25,27-28,31-34,42H,6,10,14,18,23-24,26,29-30H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 640.92 g/mol, XLogP of 12.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71016274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).