9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine

C47H38N2 — CID 70870283

IUPAC9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine
SMILESCC1(C)C2=CC(N(c3ccccc3)c3ccccc3)CC=C2c2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C47H38N2/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/h3-22,25-29,31-34,42H,30H2,1-2H3
InChIKeyRGSALYSWWGXDDS-UHFFFAOYSA-N
MW630.84 g/mol
LogP11.77
Rot. Bonds6

About 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine

9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine (PubChem CID 70870283) has the molecular formula C47H38N2 and a molecular weight of 630.84 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine
PubChem CID70870283
Molecular FormulaC47H38N2
Molecular Weight630.84 g/mol
Exact Mass630.30
IUPAC Name9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine
SMILESCC1(C)C2=CC(N(c3ccccc3)c3ccccc3)CC=C2c2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C47H38N2/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/h3-22,25-29,31-34,42H,30H2,1-2H3
InChIKeyRGSALYSWWGXDDS-UHFFFAOYSA-N
XLogP11.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.84
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-2-N,2-N,5-N,5-N-tetraphenyl-2,3-dihydrofluorene-2,5-diamine
CID 146269900
4-[2-(7-ethynyl-9,9-dimethylfluoren-2-yl)ethynyl]-N,N-diphenylaniline
CID 102033212
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
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine
CID 145019600
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
N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine
CID 137397140
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
N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane
CID 142604839
N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 155114303
N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 167112713
9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 71021422

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine (CID 70870283) is 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine is CC1(C)C2=CC(N(c3ccccc3)c3ccccc3)CC=C2c2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine?
The InChIKey is RGSALYSWWGXDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N2/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/h3-22,25-29,31-34,42H,30H2,1-2H3.
What are the key properties of 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine?
9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine has a molecular weight of 630.84 g/mol, XLogP of 11.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine is sourced from PubChem (CID 70870283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).