N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine

C55H45N — CID 156558968

IUPACN-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine
SMILESCC1(C)C2=CCC(N(c3cccc(-c4ccc5ccccc5c4-c4ccccc4)c3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)C=C2C2C=CC=CC21
InChIInChI=1S/C55H45N/c1-55(2)52-28-15-14-27-49(52)51-37-45(31-34-53(51)55)56(44-30-33-46(38-17-6-3-7-18-38)50(36-44)39-19-8-4-9-20-39)43-25-16-24-42(35-43)48-32-29-40-21-12-13-26-47(40)54(48)41-22-10-5-11-23-41/h3-30,32-37,45,49,52H,31H2,1-2H3
InChIKeyWYEVNBSXQQVUFJ-UHFFFAOYSA-N
MW719.97 g/mol
LogP14.67
Rot. Bonds7

About N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine

N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine (PubChem CID 156558968) has the molecular formula C55H45N and a molecular weight of 719.97 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine
PubChem CID156558968
Molecular FormulaC55H45N
Molecular Weight719.97 g/mol
Exact Mass719.36
IUPAC NameN-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine
SMILESCC1(C)C2=CCC(N(c3cccc(-c4ccc5ccccc5c4-c4ccccc4)c3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)C=C2C2C=CC=CC21
InChIInChI=1S/C55H45N/c1-55(2)52-28-15-14-27-49(52)51-37-45(31-34-53(51)55)56(44-30-33-46(38-17-6-3-7-18-38)50(36-44)39-19-8-4-9-20-39)43-25-16-24-42(35-43)48-32-29-40-21-12-13-26-47(40)54(48)41-22-10-5-11-23-41/h3-30,32-37,45,49,52H,31H2,1-2H3
InChIKeyWYEVNBSXQQVUFJ-UHFFFAOYSA-N
XLogP14.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.97
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-N,5-diphenyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417792
N-(3-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527571
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527468
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526926
N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177081062
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
1,2-diphenylnaphthalene
CID 11208267
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527395
6-(11,11-dimethyl-6b,10a-dihydrobenzo[a]fluoren-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170413084
N-[4-[1-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 166916880
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527714

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine (CID 156558968) is N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine is CC1(C)C2=CCC(N(c3cccc(-c4ccc5ccccc5c4-c4ccccc4)c3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)C=C2C2C=CC=CC21.
What is the InChIKey of N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine?
The InChIKey is WYEVNBSXQQVUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N/c1-55(2)52-28-15-14-27-49(52)51-37-45(31-34-53(51)55)56(44-30-33-46(38-17-6-3-7-18-38)50(36-44)39-19-8-4-9-20-39)43-25-16-24-42(35-43)48-32-29-40-21-12-13-26-47(40)54(48)41-22-10-5-11-23-41/h3-30,32-37,45,49,52H,31H2,1-2H3.
What are the key properties of N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine?
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine has a molecular weight of 719.97 g/mol, XLogP of 14.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine is sourced from PubChem (CID 156558968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).