1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole

C41H26N2 — CID 166133692

IUPAC1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole
SMILESc1ccc(-c2cccc3c4ccccc4c4ccccc4c23)c(-c2cccnc2-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C41H26N2/c1-2-13-28-26(12-1)27-14-5-6-18-32(27)39-33(28)19-9-20-34(39)29-15-3-4-16-30(29)35-23-11-25-42-40(35)37-22-10-21-36-31-17-7-8-24-38(31)43-41(36)37/h1-25,43H
InChIKeyAIZMKJCNESHKBK-UHFFFAOYSA-N
MW546.67 g/mol
LogP11.18
Rot. Bonds3

About 1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole

1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole (PubChem CID 166133692) has the molecular formula C41H26N2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole.

Molecular Properties

Compound Name1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole
PubChem CID166133692
Molecular FormulaC41H26N2
Molecular Weight546.67 g/mol
Exact Mass546.21
IUPAC Name1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole
SMILESc1ccc(-c2cccc3c4ccccc4c4ccccc4c23)c(-c2cccnc2-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C41H26N2/c1-2-13-28-26(12-1)27-14-5-6-18-32(27)39-33(28)19-9-20-34(39)29-15-3-4-16-30(29)35-23-11-25-42-40(35)37-22-10-21-36-31-17-7-8-24-38(31)43-41(36)37/h1-25,43H
InChIKeyAIZMKJCNESHKBK-UHFFFAOYSA-N
XLogP11.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 511.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole
CID 175594588
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-fluoranthen-3-yl-9H-carbazole
CID 142752993
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole
CID 154262736
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134147548
1-pyrimidin-4-yl-9H-carbazole
CID 142468899
3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
CID 175097557
4-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319061
1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde
CID 175353671
1-(3-pyridin-3-ylphenyl)-9H-carbazole
CID 154284139
1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole
CID 118037607

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole?
The IUPAC name of 1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole (CID 166133692) is 1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole.
What is the SMILES notation for 1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole?
The canonical SMILES for 1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole is c1ccc(-c2cccc3c4ccccc4c4ccccc4c23)c(-c2cccnc2-c2cccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of 1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole?
The InChIKey is AIZMKJCNESHKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2/c1-2-13-28-26(12-1)27-14-5-6-18-32(27)39-33(28)19-9-20-34(39)29-15-3-4-16-30(29)35-23-11-25-42-40(35)37-22-10-21-36-31-17-7-8-24-38(31)43-41(36)37/h1-25,43H.
What are the key properties of 1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole?
1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole has a molecular weight of 546.67 g/mol, XLogP of 11.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-triphenylen-1-ylphenyl)-2-pyridinyl]-9H-carbazole is sourced from PubChem (CID 166133692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).