9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine

C43H33N — CID 169019813

IUPAC9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4ccccc4c3)cccc21
InChIInChI=1S/C43H33N/c1-43(2)39-19-9-8-18-38(39)42-40(43)20-11-21-41(42)44(37-27-24-31-14-6-7-15-35(31)29-37)36-25-22-32(23-26-36)34-17-10-16-33(28-34)30-12-4-3-5-13-30/h3-29H,1-2H3
InChIKeyYYRYIRCWPOYWQO-UHFFFAOYSA-N
MW563.74 g/mol
LogP11.95
Rot. Bonds5

About 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine

9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 169019813) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID169019813
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC Name9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4ccccc4c3)cccc21
InChIInChI=1S/C43H33N/c1-43(2)39-19-9-8-18-38(39)42-40(43)20-11-21-41(42)44(37-27-24-31-14-6-7-15-35(31)29-37)36-25-22-32(23-26-36)34-17-10-16-33(28-34)30-12-4-3-5-13-30/h3-29H,1-2H3
InChIKeyYYRYIRCWPOYWQO-UHFFFAOYSA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019857
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020071
N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181697
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 155181875
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
N-[3-(3-fluoranthen-8-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 139499112
9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170303411
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020471
9,9-dimethyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169019931
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine
CID 170134796

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine (CID 169019813) is 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4ccccc4c3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is YYRYIRCWPOYWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-43(2)39-19-9-8-18-38(39)42-40(43)20-11-21-41(42)44(37-27-24-31-14-6-7-15-35(31)29-37)36-25-22-32(23-26-36)34-17-10-16-33(28-34)30-12-4-3-5-13-30/h3-29H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine?
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine has a molecular weight of 563.74 g/mol, XLogP of 11.95, 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-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 169019813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).