N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine

C62H45N — CID 166048478

IUPACN-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3ccc4ccccc4c3-c3ccccc3)c21
InChIInChI=1S/C62H45N/c1-61(2)54-33-16-14-30-50(54)52-32-19-35-58(60(52)61)63(57-39-37-42-20-12-13-29-49(42)59(57)43-21-6-3-7-22-43)48-28-18-23-44(40-48)45-36-38-56-53(41-45)51-31-15-17-34-55(51)62(56,46-24-8-4-9-25-46)47-26-10-5-11-27-47/h3-41H,1-2H3
InChIKeyUHUJYTPTXUBEEJ-UHFFFAOYSA-N
MW804.05 g/mol
LogP16.31
Rot. Bonds7

About N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine

N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine (PubChem CID 166048478) has the molecular formula C62H45N and a molecular weight of 804.05 g/mol. Its IUPAC name is N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine.

Molecular Properties

Compound NameN-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine
PubChem CID166048478
Molecular FormulaC62H45N
Molecular Weight804.05 g/mol
Exact Mass803.36
IUPAC NameN-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3ccc4ccccc4c3-c3ccccc3)c21
InChIInChI=1S/C62H45N/c1-61(2)54-33-16-14-30-50(54)52-32-19-35-58(60(52)61)63(57-39-37-42-20-12-13-29-49(42)59(57)43-21-6-3-7-22-43)48-28-18-23-44(40-48)45-36-38-56-53(41-45)51-31-15-17-34-55(51)62(56,46-24-8-4-9-25-46)47-26-10-5-11-27-47/h3-41H,1-2H3
InChIKeyUHUJYTPTXUBEEJ-UHFFFAOYSA-N
XLogP16.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.05
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-diphenyl-N-(1-phenylnaphthalen-2-yl)-N-[3-(3-phenylphenyl)phenyl]fluoren-1-amine
CID 166048454
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802278
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine
CID 156558367
N-(9,9-dimethylfluoren-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-1-amine;9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-1-amine;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 159477926
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 159322510
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 166048535
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170143598
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167324312
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802481
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine
CID 177122075
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168801942
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972931

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine?
The IUPAC name of N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine (CID 166048478) is N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine.
What is the SMILES notation for N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine?
The canonical SMILES for N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3ccc4ccccc4c3-c3ccccc3)c21.
What is the InChIKey of N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine?
The InChIKey is UHUJYTPTXUBEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N/c1-61(2)54-33-16-14-30-50(54)52-32-19-35-58(60(52)61)63(57-39-37-42-20-12-13-29-49(42)59(57)43-21-6-3-7-22-43)48-28-18-23-44(40-48)45-36-38-56-53(41-45)51-31-15-17-34-55(51)62(56,46-24-8-4-9-25-46)47-26-10-5-11-27-47/h3-41H,1-2H3.
What are the key properties of N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine?
N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine has a molecular weight of 804.05 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine is sourced from PubChem (CID 166048478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).