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

C50H39N — CID 155623469

IUPAC9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cc(-c2ccccc2)cc(-c2cccc3ccccc23)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C50H39N/c1-34-31-39(36-17-8-5-9-18-36)32-46(43-23-14-20-38-19-10-11-21-42(38)43)49(34)51(40-27-25-37(26-28-40)35-15-6-4-7-16-35)41-29-30-45-44-22-12-13-24-47(44)50(2,3)48(45)33-41/h4-33H,1-3H3
InChIKeyOUTITDSQHKOMCT-UHFFFAOYSA-N
MW653.87 g/mol
LogP13.93
Rot. Bonds6

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

9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155623469) has the molecular formula C50H39N and a molecular weight of 653.87 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID155623469
Molecular FormulaC50H39N
Molecular Weight653.87 g/mol
Exact Mass653.31
IUPAC Name9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cc(-c2ccccc2)cc(-c2cccc3ccccc23)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C50H39N/c1-34-31-39(36-17-8-5-9-18-36)32-46(43-23-14-20-38-19-10-11-21-42(38)43)49(34)51(40-27-25-37(26-28-40)35-15-6-4-7-16-35)41-29-30-45-44-22-12-13-24-47(44)50(2,3)48(45)33-41/h4-33H,1-3H3
InChIKeyOUTITDSQHKOMCT-UHFFFAOYSA-N
XLogP13.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155221158
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-methyl-4-(4-methylphenyl)-6-naphthalen-1-ylphenyl]fluoren-2-amine
CID 155181750
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155181916
9,9-dimethyl-N-(2-methyl-4-naphthalen-2-yl-6-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155221008
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
9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139355272
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
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-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304446
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221215

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine (CID 155623469) is 9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine is Cc1cc(-c2ccccc2)cc(-c2cccc3ccccc23)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is OUTITDSQHKOMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N/c1-34-31-39(36-17-8-5-9-18-36)32-46(43-23-14-20-38-19-10-11-21-42(38)43)49(34)51(40-27-25-37(26-28-40)35-15-6-4-7-16-35)41-29-30-45-44-22-12-13-24-47(44)50(2,3)48(45)33-41/h4-33H,1-3H3.
What are the key properties of 9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 653.87 g/mol, XLogP of 13.93, 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-(2-methyl-6-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155623469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).