N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine

C57H43N — CID 170216106

IUPACN-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc5ccccc5c4)c3)c21
InChIInChI=1S/C57H43N/c1-56(2)52-25-11-9-22-49(52)51-24-14-23-47(55(51)56)42-17-13-20-45(36-42)58(46-33-29-38-15-7-8-16-40(38)35-46)44-31-27-39(28-32-44)41-30-34-50-48-21-10-12-26-53(48)57(3,54(50)37-41)43-18-5-4-6-19-43/h4-37H,1-3H3
InChIKeyXRPPMACTPQOLSY-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.28
Rot. Bonds6

About N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine

N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine (PubChem CID 170216106) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine
PubChem CID170216106
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC NameN-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc5ccccc5c4)c3)c21
InChIInChI=1S/C57H43N/c1-56(2)52-25-11-9-22-49(52)51-24-14-23-47(55(51)56)42-17-13-20-45(36-42)58(46-33-29-38-15-7-8-16-40(38)35-46)44-31-27-39(28-32-44)41-30-34-50-48-21-10-12-26-53(48)57(3,54(50)37-41)43-18-5-4-6-19-43/h4-37H,1-3H3
InChIKeyXRPPMACTPQOLSY-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 170215627
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218403
3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 170216191
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 170217616
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 171453283
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170217629
N-(9,9-dimethylfluoren-2-yl)-9-methyl-7-naphthalen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118188570
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167324283
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218419
9-methyl-7-naphthalen-2-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118500390
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020514
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine
CID 170217607

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine (CID 170216106) is N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine is CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc5ccccc5c4)c3)c21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine?
The InChIKey is XRPPMACTPQOLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-56(2)52-25-11-9-22-49(52)51-24-14-23-47(55(51)56)42-17-13-20-45(36-42)58(46-33-29-38-15-7-8-16-40(38)35-46)44-31-27-39(28-32-44)41-30-34-50-48-21-10-12-26-53(48)57(3,54(50)37-41)43-18-5-4-6-19-43/h4-37H,1-3H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine?
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine has a molecular weight of 741.98 g/mol, XLogP of 15.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170216106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).