9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine

C45H35N — CID 169039509

IUPAC9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)cc21
InChIInChI=1S/C45H35N/c1-45(2)42-21-13-12-20-39(42)41-31-44(40(30-43(41)45)36-18-10-5-11-19-36)46(37-26-22-34(23-27-37)32-14-6-3-7-15-32)38-28-24-35(25-29-38)33-16-8-4-9-17-33/h3-31H,1-2H3
InChIKeyVKUPENTVIJFNSH-UHFFFAOYSA-N
MW589.78 g/mol
LogP12.46
Rot. Bonds6

About 9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine

9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine (PubChem CID 169039509) has the molecular formula C45H35N and a molecular weight of 589.78 g/mol. Its IUPAC name is 9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
PubChem CID169039509
Molecular FormulaC45H35N
Molecular Weight589.78 g/mol
Exact Mass589.28
IUPAC Name9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)cc21
InChIInChI=1S/C45H35N/c1-45(2)42-21-13-12-20-39(42)41-31-44(40(30-43(41)45)36-18-10-5-11-19-36)46(37-26-22-34(23-27-37)32-14-6-3-7-15-32)38-28-24-35(25-29-38)33-16-8-4-9-17-33/h3-31H,1-2H3
InChIKeyVKUPENTVIJFNSH-UHFFFAOYSA-N
XLogP12.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.78
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 156545394
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine
CID 138462000
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541052
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine (CID 169039509) is 9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine?
The InChIKey is VKUPENTVIJFNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N/c1-45(2)42-21-13-12-20-39(42)41-31-44(40(30-43(41)45)36-18-10-5-11-19-36)46(37-26-22-34(23-27-37)32-14-6-3-7-15-32)38-28-24-35(25-29-38)33-16-8-4-9-17-33/h3-31H,1-2H3.
What are the key properties of 9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine?
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine has a molecular weight of 589.78 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 169039509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).