N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline

C45H35N — CID 169039821

IUPACN-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C45H35N/c1-45(2)42-30-25-36(31-41(42)44-40(19-12-20-43(44)45)35-15-8-4-9-16-35)34-23-28-39(29-24-34)46(37-17-10-5-11-18-37)38-26-21-33(22-27-38)32-13-6-3-7-14-32/h3-31H,1-2H3
InChIKeyLCQYLFVXPAGUMU-UHFFFAOYSA-N
MW589.78 g/mol
LogP12.46
Rot. Bonds6

About N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline

N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline (PubChem CID 169039821) has the molecular formula C45H35N and a molecular weight of 589.78 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
PubChem CID169039821
Molecular FormulaC45H35N
Molecular Weight589.78 g/mol
Exact Mass589.28
IUPAC NameN-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C45H35N/c1-45(2)42-30-25-36(31-41(42)44-40(19-12-20-43(44)45)35-15-8-4-9-16-35)34-23-28-39(29-24-34)46(37-17-10-5-11-18-37)38-26-21-33(22-27-38)32-13-6-3-7-14-32/h3-31H,1-2H3
InChIKeyLCQYLFVXPAGUMU-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

3-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 169039754
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 154972984
3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 163849561
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine
CID 169039700
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541107
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169019629
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 169020312

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline (CID 169039821) is N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline is CC1(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline?
The InChIKey is LCQYLFVXPAGUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N/c1-45(2)42-30-25-36(31-41(42)44-40(19-12-20-43(44)45)35-15-8-4-9-16-35)34-23-28-39(29-24-34)46(37-17-10-5-11-18-37)38-26-21-33(22-27-38)32-13-6-3-7-14-32/h3-31H,1-2H3.
What are the key properties of N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline?
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline 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 N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 169039821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).