9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine

C48H41N — CID 145082585

IUPAC9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine
SMILESCc1ccccc1-c1c(C)cccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2C(C)(C)c2ccccc2-3)c(C)c1
InChIInChI=1S/C48H41N/c1-32-15-9-10-19-39(32)46-33(2)16-13-21-40(46)37-27-30-44(34(3)31-37)49(38-28-25-36(26-29-38)35-17-7-6-8-18-35)45-24-14-22-42-41-20-11-12-23-43(41)48(4,5)47(42)45/h6-31H,1-5H3
InChIKeyBAMMAIYXKTUWCM-UHFFFAOYSA-N
MW631.86 g/mol
LogP13.39
Rot. Bonds6

About 9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine

9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine (PubChem CID 145082585) has the molecular formula C48H41N and a molecular weight of 631.86 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine
PubChem CID145082585
Molecular FormulaC48H41N
Molecular Weight631.86 g/mol
Exact Mass631.32
IUPAC Name9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine
SMILESCc1ccccc1-c1c(C)cccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2C(C)(C)c2ccccc2-3)c(C)c1
InChIInChI=1S/C48H41N/c1-32-15-9-10-19-39(32)46-33(2)16-13-21-40(46)37-27-30-44(34(3)31-37)49(38-28-25-36(26-29-38)35-17-7-6-8-18-35)45-24-14-22-42-41-20-11-12-23-43(41)48(4,5)47(42)45/h6-31H,1-5H3
InChIKeyBAMMAIYXKTUWCM-UHFFFAOYSA-N
XLogP13.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.86
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dimethyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285801
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-1-amine
CID 167285584
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 167285354
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 155220981
N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155220965
N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine
CID 153308718
9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene
CID 162723202
N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 155623488
N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221133
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170215738
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine?
The IUPAC name of 9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine (CID 145082585) is 9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine.
What is the SMILES notation for 9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine?
The canonical SMILES for 9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine is Cc1ccccc1-c1c(C)cccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2C(C)(C)c2ccccc2-3)c(C)c1.
What is the InChIKey of 9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine?
The InChIKey is BAMMAIYXKTUWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N/c1-32-15-9-10-19-39(32)46-33(2)16-13-21-40(46)37-27-30-44(34(3)31-37)49(38-28-25-36(26-29-38)35-17-7-6-8-18-35)45-24-14-22-42-41-20-11-12-23-43(41)48(4,5)47(42)45/h6-31H,1-5H3.
What are the key properties of 9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine?
9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine has a molecular weight of 631.86 g/mol, XLogP of 13.39, 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-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine is sourced from PubChem (CID 145082585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).