9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine

C40H26N2 — CID 142740278

IUPAC9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine
SMILESc1ccc2c(-n3c4ccccc4c4cc(Nc5ccc6c7ccccc7c7ccccc7c6c5)ccc43)cccc2c1
InChIInChI=1S/C40H26N2/c1-2-12-29-26(10-1)11-9-19-38(29)42-39-18-8-7-17-35(39)37-25-28(21-23-40(37)42)41-27-20-22-34-32-15-4-3-13-30(32)31-14-5-6-16-33(31)36(34)24-27/h1-25,41H
InChIKeyQESLERBWTOHDEU-UHFFFAOYSA-N
MW534.66 g/mol
LogP11.14
Rot. Bonds3

About 9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine

9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine (PubChem CID 142740278) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine
PubChem CID142740278
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine
SMILESc1ccc2c(-n3c4ccccc4c4cc(Nc5ccc6c7ccccc7c7ccccc7c6c5)ccc43)cccc2c1
InChIInChI=1S/C40H26N2/c1-2-12-29-26(10-1)11-9-19-38(29)42-39-18-8-7-17-35(39)37-25-28(21-23-40(37)42)41-27-20-22-34-32-15-4-3-13-30(32)31-14-5-6-16-33(31)36(34)24-27/h1-25,41H
InChIKeyQESLERBWTOHDEU-UHFFFAOYSA-N
XLogP11.14
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 511.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine
CID 59742334
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
ethane;N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 144861482
9-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)carbazole;9-naphthalen-1-yl-3-(3-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-triphenylen-2-ylphenyl)carbazole
CID 158894954
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
9-naphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-phenanthren-9-ylphenyl)carbazole
CID 160833485
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine?
The IUPAC name of 9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine (CID 142740278) is 9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine.
What is the SMILES notation for 9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine?
The canonical SMILES for 9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine is c1ccc2c(-n3c4ccccc4c4cc(Nc5ccc6c7ccccc7c7ccccc7c6c5)ccc43)cccc2c1.
What is the InChIKey of 9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine?
The InChIKey is QESLERBWTOHDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-2-12-29-26(10-1)11-9-19-38(29)42-39-18-8-7-17-35(39)37-25-28(21-23-40(37)42)41-27-20-22-34-32-15-4-3-13-30(32)31-14-5-6-16-33(31)36(34)24-27/h1-25,41H.
What are the key properties of 9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine?
9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine has a molecular weight of 534.66 g/mol, XLogP of 11.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine is sourced from PubChem (CID 142740278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).