9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine

C56H43N — CID 155221158

IUPAC9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCc1cc(-c2cccc3ccccc23)cc(-c2ccccc2)c1N(c1ccc(-c2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C56H43N/c1-38-35-43(49-27-16-22-40-21-10-11-23-47(40)49)36-52(41-19-8-5-9-20-41)55(38)57(45-33-34-51-50-26-14-15-28-53(50)56(2,3)54(51)37-45)44-31-29-42(30-32-44)48-25-13-12-24-46(48)39-17-6-4-7-18-39/h4-37H,1-3H3
InChIKeyPMJGCTLWWHTJBU-UHFFFAOYSA-N
MW729.97 g/mol
LogP15.59
Rot. Bonds7

About 9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 155221158) has the molecular formula C56H43N and a molecular weight of 729.97 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID155221158
Molecular FormulaC56H43N
Molecular Weight729.97 g/mol
Exact Mass729.34
IUPAC Name9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCc1cc(-c2cccc3ccccc23)cc(-c2ccccc2)c1N(c1ccc(-c2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C56H43N/c1-38-35-43(49-27-16-22-40-21-10-11-23-47(40)49)36-52(41-19-8-5-9-20-41)55(38)57(45-33-34-51-50-26-14-15-28-53(50)56(2,3)54(51)37-45)44-31-29-42(30-32-44)48-25-13-12-24-46(48)39-17-6-4-7-18-39/h4-37H,1-3H3
InChIKeyPMJGCTLWWHTJBU-UHFFFAOYSA-N
XLogP15.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.97
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 155623469
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylphenyl)fluoren-2-amine
CID 146579364
N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155221112
7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155181927
N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221215
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
9,9-dimethyl-N-(2-methyl-4-naphthalen-2-yl-6-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155221008
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 118428459
7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-naphthalen-2-ylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155181726
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158189817

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine (CID 155221158) is 9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine is Cc1cc(-c2cccc3ccccc23)cc(-c2ccccc2)c1N(c1ccc(-c2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is PMJGCTLWWHTJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N/c1-38-35-43(49-27-16-22-40-21-10-11-23-47(40)49)36-52(41-19-8-5-9-20-41)55(38)57(45-33-34-51-50-26-14-15-28-53(50)56(2,3)54(51)37-45)44-31-29-42(30-32-44)48-25-13-12-24-46(48)39-17-6-4-7-18-39/h4-37H,1-3H3.
What are the key properties of 9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 729.97 g/mol, XLogP of 15.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 155221158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).