N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine

C58H39N3 — CID 168809354

IUPACN-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)ccc4ccccc34)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C58H39N3/c1-3-19-40(20-4-1)42-22-17-25-44(39-42)60(55-36-18-35-54-58(55)49-30-12-16-34-53(49)59(54)43-23-5-2-6-24-43)52-33-15-11-29-48(52)57-45-26-8-7-21-41(45)37-38-56(57)61-50-31-13-9-27-46(50)47-28-10-14-32-51(47)61/h1-39H
InChIKeyDLVFIJRMLIRIBA-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.84
Rot. Bonds7

About N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine

N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine (PubChem CID 168809354) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound NameN-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine
PubChem CID168809354
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC NameN-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)ccc4ccccc34)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C58H39N3/c1-3-19-40(20-4-1)42-22-17-25-44(39-42)60(55-36-18-35-54-58(55)49-30-12-16-34-53(49)59(54)43-23-5-2-6-24-43)52-33-15-11-29-48(52)57-45-26-8-7-21-41(45)37-38-56(57)61-50-31-13-9-27-46(50)47-28-10-14-32-51(47)61/h1-39H
InChIKeyDLVFIJRMLIRIBA-UHFFFAOYSA-N
XLogP15.84
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 168809325
N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine
CID 170138400
9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine
CID 177077824
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
N-phenanthren-2-yl-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-4-amine
CID 172501232
9-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(2-phenylphenyl)carbazol-4-amine
CID 174257736
N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 168809021
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286478
N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 170138451
2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine?
The IUPAC name of N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine (CID 168809354) is N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine?
The canonical SMILES for N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine is c1ccc(-c2cccc(N(c3ccccc3-c3c(-n4c5ccccc5c5ccccc54)ccc4ccccc34)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine?
The InChIKey is DLVFIJRMLIRIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-3-19-40(20-4-1)42-22-17-25-44(39-42)60(55-36-18-35-54-58(55)49-30-12-16-34-53(49)59(54)43-23-5-2-6-24-43)52-33-15-11-29-48(52)57-45-26-8-7-21-41(45)37-38-56(57)61-50-31-13-9-27-46(50)47-28-10-14-32-51(47)61/h1-39H.
What are the key properties of N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine?
N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine has a molecular weight of 777.97 g/mol, XLogP of 15.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 168809354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).