N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline

C43H31N — CID 158652942

IUPACN,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C43H31N/c1-4-16-33(17-5-1)43(40-25-13-10-23-38(40)39-24-11-14-26-41(39)43)34-30-28-32(29-31-34)37-22-12-15-27-42(37)44(35-18-6-2-7-19-35)36-20-8-3-9-21-36/h1-31H
InChIKeyIBTULGBQRKBJAT-UHFFFAOYSA-N
MW561.73 g/mol
LogP11.19
Rot. Bonds6

About N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline

N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 158652942) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID158652942
Molecular FormulaC43H31N
Molecular Weight561.73 g/mol
Exact Mass561.25
IUPAC NameN,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C43H31N/c1-4-16-33(17-5-1)43(40-25-13-10-23-38(40)39-24-11-14-26-41(39)43)34-30-28-32(29-31-34)37-22-12-15-27-42(37)44(35-18-6-2-7-19-35)36-20-8-3-9-21-36/h1-31H
InChIKeyIBTULGBQRKBJAT-UHFFFAOYSA-N
XLogP11.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 142481346
4-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-4-N-[2-(4-phenylphenyl)phenyl]benzene-1,4-diamine
CID 155096728
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 121464379
N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline
CID 169292948
2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline
CID 169293087
1-N-(9,9-diphenylfluoren-3-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096776
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine
CID 160845132
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
CID 146576437

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline (CID 158652942) is N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline is c1ccc(N(c2ccccc2)c2ccccc2-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is IBTULGBQRKBJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/c1-4-16-33(17-5-1)43(40-25-13-10-23-38(40)39-24-11-14-26-41(39)43)34-30-28-32(29-31-34)37-22-12-15-27-42(37)44(35-18-6-2-7-19-35)36-20-8-3-9-21-36/h1-31H.
What are the key properties of N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline has a molecular weight of 561.73 g/mol, XLogP of 11.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 158652942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).