6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine

C39H31N — CID 170091409

IUPAC6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine
SMILESCc1cc2c(cc1C)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C39H31N/c1-28-25-36-35-24-23-34(40(32-19-11-5-12-20-32)33-21-13-6-14-22-33)27-38(35)39(37(36)26-29(28)2,30-15-7-3-8-16-30)31-17-9-4-10-18-31/h3-27H,1-2H3
InChIKeyCUQIDLFZYXWJFG-UHFFFAOYSA-N
MW513.68 g/mol
LogP10.14
Rot. Bonds5

About 6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine

6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine (PubChem CID 170091409) has the molecular formula C39H31N and a molecular weight of 513.68 g/mol. Its IUPAC name is 6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine.

Molecular Properties

Compound Name6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine
PubChem CID170091409
Molecular FormulaC39H31N
Molecular Weight513.68 g/mol
Exact Mass513.25
IUPAC Name6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine
SMILESCc1cc2c(cc1C)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C39H31N/c1-28-25-36-35-24-23-34(40(32-19-11-5-12-20-32)33-21-13-6-14-22-33)27-38(35)39(37(36)26-29(28)2,30-15-7-3-8-16-30)31-17-9-4-10-18-31/h3-27H,1-2H3
InChIKeyCUQIDLFZYXWJFG-UHFFFAOYSA-N
XLogP10.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067384
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 118298184
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298477

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine?
The IUPAC name of 6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine (CID 170091409) is 6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine.
What is the SMILES notation for 6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine?
The canonical SMILES for 6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine is Cc1cc2c(cc1C)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.
What is the InChIKey of 6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine?
The InChIKey is CUQIDLFZYXWJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N/c1-28-25-36-35-24-23-34(40(32-19-11-5-12-20-32)33-21-13-6-14-22-33)27-38(35)39(37(36)26-29(28)2,30-15-7-3-8-16-30)31-17-9-4-10-18-31/h3-27H,1-2H3.
What are the key properties of 6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine?
6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine has a molecular weight of 513.68 g/mol, XLogP of 10.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine is sourced from PubChem (CID 170091409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).