N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine

C55H41N — CID 170135293

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4ccccc4c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C55H41N/c1-55(2)50-31-15-12-29-49(50)54-48(30-18-32-51(54)55)47-28-14-17-34-53(47)56(41-36-35-38-19-6-7-22-40(38)37-41)52-33-16-13-27-46(52)45-26-11-10-25-44(45)43-24-9-8-23-42(43)39-20-4-3-5-21-39/h3-37H,1-2H3
InChIKeyKECPHINIQFWVQX-UHFFFAOYSA-N
MW715.94 g/mol
LogP15.28
Rot. Bonds7

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

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine (PubChem CID 170135293) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
PubChem CID170135293
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4ccccc4c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C55H41N/c1-55(2)50-31-15-12-29-49(50)54-48(30-18-32-51(54)55)47-28-14-17-34-53(47)56(41-36-35-38-19-6-7-22-40(38)37-41)52-33-16-13-27-46(52)45-26-11-10-25-44(45)43-24-9-8-23-42(43)39-20-4-3-5-21-39/h3-37H,1-2H3
InChIKeyKECPHINIQFWVQX-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170303411
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine
CID 170134796
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117408
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 170142242
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-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 170136631
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 155181875
9,9-dimethyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169019931

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine (CID 170135293) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4ccccc4c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine?
The InChIKey is KECPHINIQFWVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-55(2)50-31-15-12-29-49(50)54-48(30-18-32-51(54)55)47-28-14-17-34-53(47)56(41-36-35-38-19-6-7-22-40(38)37-41)52-33-16-13-27-46(52)45-26-11-10-25-44(45)43-24-9-8-23-42(43)39-20-4-3-5-21-39/h3-37H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine has a molecular weight of 715.94 g/mol, XLogP of 15.28, 7 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]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 170135293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).