9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine

C47H35N — CID 170303411

IUPAC9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cccc21
InChIInChI=1S/C47H35N/c1-47(2)41-25-10-8-22-40(41)46-42(47)26-14-28-44(46)48(36-30-29-32-15-6-7-18-35(32)31-36)43-27-11-9-21-38(43)39-24-13-20-34-19-12-23-37(45(34)39)33-16-4-3-5-17-33/h3-31H,1-2H3
InChIKeyATCJXHAEGWHOFJ-UHFFFAOYSA-N
MW613.80 g/mol
LogP13.10
Rot. Bonds5

About 9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine

9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine (PubChem CID 170303411) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
PubChem CID170303411
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cccc21
InChIInChI=1S/C47H35N/c1-47(2)41-25-10-8-22-40(41)46-42(47)26-14-28-44(46)48(36-30-29-32-15-6-7-18-35(32)31-36)43-27-11-9-21-38(43)39-24-13-20-34-19-12-23-37(45(34)39)33-16-4-3-5-17-33/h3-31H,1-2H3
InChIKeyATCJXHAEGWHOFJ-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170135293
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117408
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019857
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine
CID 170134796
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 155181875
9,9-dimethyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169019931
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 169285223
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-amine
CID 170303543
N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181697

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine (CID 170303411) is 9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cccc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
The InChIKey is ATCJXHAEGWHOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)41-25-10-8-22-40(41)46-42(47)26-14-28-44(46)48(36-30-29-32-15-6-7-18-35(32)31-36)43-27-11-9-21-38(43)39-24-13-20-34-19-12-23-37(45(34)39)33-16-4-3-5-17-33/h3-31H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine has a molecular weight of 613.80 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 170303411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).