N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline

C53H39N — CID 170135024

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccc4ccccc4c3)c3ccccc3-c3cccc4ccccc34)cccc21
InChIInChI=1S/C53H39N/c1-53(2)47-28-11-7-25-46(47)52-45(27-16-29-48(52)53)44-24-10-14-32-51(44)54(49-30-12-8-22-41(49)39-34-33-36-17-3-4-19-38(36)35-39)50-31-13-9-23-43(50)42-26-15-20-37-18-5-6-21-40(37)42/h3-35H,1-2H3
InChIKeyYMOCBXGIDUAPOU-UHFFFAOYSA-N
MW689.90 g/mol
LogP14.77
Rot. Bonds6

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline (PubChem CID 170135024) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline
PubChem CID170135024
Molecular FormulaC53H39N
Molecular Weight689.90 g/mol
Exact Mass689.31
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccc4ccccc4c3)c3ccccc3-c3cccc4ccccc34)cccc21
InChIInChI=1S/C53H39N/c1-53(2)47-28-11-7-25-46(47)52-45(27-16-29-48(52)53)44-24-10-14-32-51(44)54(49-30-12-8-22-41(49)39-34-33-36-17-3-4-19-38(36)35-39)50-31-13-9-23-43(50)42-26-15-20-37-18-5-6-21-40(37)42/h3-35H,1-2H3
InChIKeyYMOCBXGIDUAPOU-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.90
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]fluoren-4-amine
CID 169019982
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020471
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019753
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 59194727
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 170142242
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 170134747
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170139672
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170135293
N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170138005
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183210
2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303468

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline (CID 170135024) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccc4ccccc4c3)c3ccccc3-c3cccc4ccccc34)cccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline?
The InChIKey is YMOCBXGIDUAPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)47-28-11-7-25-46(47)52-45(27-16-29-48(52)53)44-24-10-14-32-51(44)54(49-30-12-8-22-41(49)39-34-33-36-17-3-4-19-38(36)35-39)50-31-13-9-23-43(50)42-26-15-20-37-18-5-6-21-40(37)42/h3-35H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline has a molecular weight of 689.90 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170135024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).