N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine

C52H41N — CID 129085267

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc5ccccc5c4)cc3)ccc21
InChIInChI=1S/C52H41N/c1-51(2)47-18-9-8-15-44(47)46-33-38(25-31-49(46)51)35-20-26-39(27-21-35)53(41-30-22-34-12-5-6-13-37(34)32-41)40-28-23-36(24-29-40)42-16-11-17-45-43-14-7-10-19-48(43)52(3,4)50(42)45/h5-33H,1-4H3
InChIKeyOJCLZDZWILTYRV-UHFFFAOYSA-N
MW679.91 g/mol
LogP14.26
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine (PubChem CID 129085267) has the molecular formula C52H41N and a molecular weight of 679.91 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
PubChem CID129085267
Molecular FormulaC52H41N
Molecular Weight679.91 g/mol
Exact Mass679.32
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc5ccccc5c4)cc3)ccc21
InChIInChI=1S/C52H41N/c1-51(2)47-18-9-8-15-44(47)46-33-38(25-31-49(46)51)35-20-26-39(27-21-35)53(41-30-22-34-12-5-6-13-37(34)32-41)40-28-23-36(24-29-40)42-16-11-17-45-43-14-7-10-19-48(43)52(3,4)50(42)45/h5-33H,1-4H3
InChIKeyOJCLZDZWILTYRV-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.91
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-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-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
CID 166565837
3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154972891
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167324283
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 159322510
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788393
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine
CID 170179875
2,3,5,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 171451556
2,3,5,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 171451147
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541052
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine
CID 169039700

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine (CID 129085267) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc5ccccc5c4)cc3)ccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine?
The InChIKey is OJCLZDZWILTYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N/c1-51(2)47-18-9-8-15-44(47)46-33-38(25-31-49(46)51)35-20-26-39(27-21-35)53(41-30-22-34-12-5-6-13-37(34)32-41)40-28-23-36(24-29-40)42-16-11-17-45-43-14-7-10-19-48(43)52(3,4)50(42)45/h5-33H,1-4H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine has a molecular weight of 679.91 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 129085267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).