9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine

C53H39N — CID 170417724

IUPAC9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4cc5ccccc5cc4-c4cccc5ccccc45)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C53H39N/c1-53(2)50-26-14-24-45(37-15-5-3-6-16-37)52(50)47-32-31-43(35-51(47)53)54(41-21-7-4-8-22-41)42-29-27-38(28-30-42)48-33-39-18-9-10-19-40(39)34-49(48)46-25-13-20-36-17-11-12-23-44(36)46/h3-35H,1-2H3
InChIKeyKKOCWODFMAYZQF-UHFFFAOYSA-N
MW689.90 g/mol
LogP14.77
Rot. Bonds6

About 9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine

9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine (PubChem CID 170417724) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
PubChem CID170417724
Molecular FormulaC53H39N
Molecular Weight689.90 g/mol
Exact Mass689.31
IUPAC Name9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4cc5ccccc5cc4-c4cccc5ccccc45)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C53H39N/c1-53(2)50-26-14-24-45(37-15-5-3-6-16-37)52(50)47-32-31-43(35-51(47)53)54(41-21-7-4-8-22-41)42-29-27-38(28-30-42)48-33-39-18-9-10-19-40(39)34-49(48)46-25-13-20-36-17-11-12-23-44(36)46/h3-35H,1-2H3
InChIKeyKKOCWODFMAYZQF-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.90
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-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

9,9-dimethyl-5-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417762
9,9-dimethyl-N-[2-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine
CID 170417859
9,9-dimethyl-N,5-diphenyl-N-[3-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]fluoren-2-amine
CID 170417832
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,5-diphenyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417792
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169019629
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 169020312
9,9-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170417611
3-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019775
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,3-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019530
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine (CID 170417724) is 9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4cc5ccccc5cc4-c4cccc5ccccc45)cc3)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine?
The InChIKey is KKOCWODFMAYZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)50-26-14-24-45(37-15-5-3-6-16-37)52(50)47-32-31-43(35-51(47)53)54(41-21-7-4-8-22-41)42-29-27-38(28-30-42)48-33-39-18-9-10-19-40(39)34-49(48)46-25-13-20-36-17-11-12-23-44(36)46/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine?
9,9-dimethyl-N-[4-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine has a molecular weight of 689.90 g/mol, XLogP of 14.77, 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-(3-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N,5-diphenylfluoren-2-amine is sourced from PubChem (CID 170417724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).