9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine

C39H31N — CID 121285785

IUPAC9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C39H31N/c1-39(2)37-16-10-9-15-35(37)36-27-34(25-26-38(36)39)40(32-21-17-30(18-22-32)28-11-5-3-6-12-28)33-23-19-31(20-24-33)29-13-7-4-8-14-29/h3-27H,1-2H3
InChIKeyXFJHOCVXOVLZSB-UHFFFAOYSA-N
MW513.68 g/mol
LogP10.80
Rot. Bonds5

About 9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine

9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine (PubChem CID 121285785) has the molecular formula C39H31N and a molecular weight of 513.68 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
PubChem CID121285785
Molecular FormulaC39H31N
Molecular Weight513.68 g/mol
Exact Mass513.25
IUPAC Name9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C39H31N/c1-39(2)37-16-10-9-15-35(37)36-27-34(25-26-38(36)39)40(32-21-17-30(18-22-32)28-11-5-3-6-12-28)33-23-19-31(20-24-33)29-13-7-4-8-14-29/h3-27H,1-2H3
InChIKeyXFJHOCVXOVLZSB-UHFFFAOYSA-N
XLogP10.80
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 ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 176605475
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480942
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine (CID 121285785) is 9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine?
The InChIKey is XFJHOCVXOVLZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N/c1-39(2)37-16-10-9-15-35(37)36-27-34(25-26-38(36)39)40(32-21-17-30(18-22-32)28-11-5-3-6-12-28)33-23-19-31(20-24-33)29-13-7-4-8-14-29/h3-27H,1-2H3.
What are the key properties of 9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine?
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine has a molecular weight of 513.68 g/mol, XLogP of 10.80, 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,N-bis(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 121285785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).