N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine

C53H37N — CID 172544729

IUPACN-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(Nc4ccc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)cccc32)cc1
InChIInChI=1S/C53H37N/c1-3-15-43(16-4-1)53(44-17-5-2-6-18-44)49-22-10-9-20-48(49)52-50(53)23-12-24-51(52)54-45-35-33-40(34-36-45)38-27-25-37(26-28-38)39-29-31-42(32-30-39)47-21-11-14-41-13-7-8-19-46(41)47/h1-36,54H
InChIKeyXFJYKLOZPNZGIF-UHFFFAOYSA-N
MW687.89 g/mol
LogP13.95
Rot. Bonds7

About N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine

N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine (PubChem CID 172544729) has the molecular formula C53H37N and a molecular weight of 687.89 g/mol. Its IUPAC name is N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
PubChem CID172544729
Molecular FormulaC53H37N
Molecular Weight687.89 g/mol
Exact Mass687.29
IUPAC NameN-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(Nc4ccc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)cccc32)cc1
InChIInChI=1S/C53H37N/c1-3-15-43(16-4-1)53(44-17-5-2-6-18-44)49-22-10-9-20-48(49)52-50(53)23-12-24-51(52)54-45-35-33-40(34-36-45)38-27-25-37(26-28-38)39-29-31-42(32-30-39)47-21-11-14-41-13-7-8-19-46(41)47/h1-36,54H
InChIKeyXFJYKLOZPNZGIF-UHFFFAOYSA-N
XLogP13.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 513.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-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

N-[4-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 177114125
9-phenyl-N-(2-phenylphenyl)-9-(4-phenylphenyl)fluoren-4-amine
CID 155297478
9,9-diphenyl-N-(2-phenylphenyl)fluoren-4-amine
CID 155297416
2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol
CID 145292020
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-1-amine
CID 118487061
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 169019849
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
9-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-4-amine
CID 139355218
7-dibenzofuran-4-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 163679772
N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333073
N-naphthalen-1-yl-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019661

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine (CID 172544729) is N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(Nc4ccc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)cccc32)cc1.
What is the InChIKey of N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine?
The InChIKey is XFJYKLOZPNZGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N/c1-3-15-43(16-4-1)53(44-17-5-2-6-18-44)49-22-10-9-20-48(49)52-50(53)23-12-24-51(52)54-45-35-33-40(34-36-45)38-27-25-37(26-28-38)39-29-31-42(32-30-39)47-21-11-14-41-13-7-8-19-46(41)47/h1-36,54H.
What are the key properties of N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine?
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine has a molecular weight of 687.89 g/mol, XLogP of 13.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 172544729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).