4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline

C56H38N2 — CID 167322421

IUPAC4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C56H38N2/c1-2-16-46(17-3-1)57(48-34-29-40(30-35-48)43-31-36-50-45(38-43)26-25-41-13-4-5-18-49(41)50)47-32-27-39(28-33-47)42-14-12-15-44(37-42)51-19-6-9-22-54(51)58-55-23-10-7-20-52(55)53-21-8-11-24-56(53)58/h1-38H
InChIKeyUSLLPJROFHUDCW-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About 4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline

4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline (PubChem CID 167322421) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
PubChem CID167322421
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC Name4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C56H38N2/c1-2-16-46(17-3-1)57(48-34-29-40(30-35-48)43-31-36-50-45(38-43)26-25-41-13-4-5-18-49(41)50)47-32-27-39(28-33-47)42-14-12-15-44(37-42)51-19-6-9-22-54(51)58-55-23-10-7-20-52(55)53-21-8-11-24-56(53)58/h1-38H
InChIKeyUSLLPJROFHUDCW-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 167322744
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 167322073
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 167322341
3-(2-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467805
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzofuran-3-amine
CID 167322658
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322678
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167322214
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 167322685
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine
CID 174276936
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline?
The IUPAC name of 4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline (CID 167322421) is 4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline?
The canonical SMILES for 4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)cc1.
What is the InChIKey of 4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline?
The InChIKey is USLLPJROFHUDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-2-16-46(17-3-1)57(48-34-29-40(30-35-48)43-31-36-50-45(38-43)26-25-41-13-4-5-18-49(41)50)47-32-27-39(28-33-47)42-14-12-15-44(37-42)51-19-6-9-22-54(51)58-55-23-10-7-20-52(55)53-21-8-11-24-56(53)58/h1-38H.
What are the key properties of 4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline?
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 167322421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).