9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine

C49H39N — CID 156558959

IUPAC9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine
SMILESCC1(C)C2=CC(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3ccccc3-c3ccccc3)=CCC2c2ccccc21
InChIInChI=1S/C49H39N/c1-49(2)45-23-13-11-22-43(45)44-32-30-39(33-46(44)49)50(47-24-14-12-20-40(47)34-15-5-3-6-16-34)38-28-25-36(26-29-38)42-31-27-35-17-9-10-21-41(35)48(42)37-18-7-4-8-19-37/h3-31,33,44H,32H2,1-2H3
InChIKeyMAXDOGGWPQZWKO-UHFFFAOYSA-N
MW641.86 g/mol
LogP13.27
Rot. Bonds6

About 9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine

9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine (PubChem CID 156558959) has the molecular formula C49H39N and a molecular weight of 641.86 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine
PubChem CID156558959
Molecular FormulaC49H39N
Molecular Weight641.86 g/mol
Exact Mass641.31
IUPAC Name9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine
SMILESCC1(C)C2=CC(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3ccccc3-c3ccccc3)=CCC2c2ccccc21
InChIInChI=1S/C49H39N/c1-49(2)45-23-13-11-22-43(45)44-32-30-39(33-46(44)49)50(47-24-14-12-20-40(47)34-15-5-3-6-16-34)38-28-25-36(26-29-38)42-31-27-35-17-9-10-21-41(35)48(42)37-18-7-4-8-19-37/h3-31,33,44H,32H2,1-2H3
InChIKeyMAXDOGGWPQZWKO-UHFFFAOYSA-N
XLogP13.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.86
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine with MolForge

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Related Compounds

N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156558424
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527006
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine
CID 167265707
4-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138529075
9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611810
N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167143221
9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine
CID 170304185
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 169039673
N-(4-phenanthren-9-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527338
9,9-dimethyl-N,5-diphenyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417792

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine (CID 156558959) is 9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine is CC1(C)C2=CC(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3ccccc3-c3ccccc3)=CCC2c2ccccc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine?
The InChIKey is MAXDOGGWPQZWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39N/c1-49(2)45-23-13-11-22-43(45)44-32-30-39(33-46(44)49)50(47-24-14-12-20-40(47)34-15-5-3-6-16-34)38-28-25-36(26-29-38)42-31-27-35-17-9-10-21-41(35)48(42)37-18-7-4-8-19-37/h3-31,33,44H,32H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine?
9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine has a molecular weight of 641.86 g/mol, XLogP of 13.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine is sourced from PubChem (CID 156558959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).