6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine

C50H34N4 — CID 146936171

IUPAC6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine
SMILESCCn1c(-c2ccc(-c3cccc4c3nc(-c3cccc(-n5c6ccccc6c6ccccc65)c3)c3ccc5ccccc5c34)cc2)nc2ccccc21
InChIInChI=1S/C50H34N4/c1-2-53-46-24-10-7-21-43(46)51-50(53)34-27-25-33(26-28-34)38-19-12-20-41-47-37-16-4-3-13-32(37)29-30-42(47)48(52-49(38)41)35-14-11-15-36(31-35)54-44-22-8-5-17-39(44)40-18-6-9-23-45(40)54/h3-31H,2H2,1H3
InChIKeyAFYYQLBWYGVALP-UHFFFAOYSA-N
MW690.85 g/mol
LogP13.01
Rot. Bonds5

About 6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine

6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine (PubChem CID 146936171) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine
PubChem CID146936171
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine
SMILESCCn1c(-c2ccc(-c3cccc4c3nc(-c3cccc(-n5c6ccccc6c6ccccc65)c3)c3ccc5ccccc5c34)cc2)nc2ccccc21
InChIInChI=1S/C50H34N4/c1-2-53-46-24-10-7-21-43(46)51-50(53)34-27-25-33(26-28-34)38-19-12-20-41-47-37-16-4-3-13-32(37)29-30-42(47)48(52-49(38)41)35-14-11-15-36(31-35)54-44-22-8-5-17-39(44)40-18-6-9-23-45(40)54/h3-31H,2H2,1H3
InChIKeyAFYYQLBWYGVALP-UHFFFAOYSA-N
XLogP13.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbazol-9-ylphenyl)-6-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine;4-(3-carbazol-9-ylphenyl)-6-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine;4-(4-carbazol-9-ylphenyl)-6-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine
CID 159581455
14-[3-(1-ethylbenzimidazol-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122605
6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine
CID 155249349
4-(3-carbazol-9-ylphenyl)-6-[4-(2-phenylquinazolin-4-yl)phenyl]benzo[k]phenanthridine;4-(4-carbazol-9-ylphenyl)-6-[4-(2-phenylquinazolin-4-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzofuran-1-ylphenyl)-6-[4-(2-phenylquinazolin-4-yl)phenyl]benzo[k]phenanthridine
CID 158279282
4-(4-carbazol-9-ylphenyl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 155249389
4-(4-carbazol-9-ylphenyl)-6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 155249601
6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 158944758
4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549089
1-ethyl-2-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)naphthalen-1-yl]benzimidazole
CID 167413067
6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine
CID 159237544
10-[9-(1-ethylbenzimidazol-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole
CID 134594956
2-(3-carbazol-9-ylphenyl)-9-(4-naphthalen-1-ylphenyl)carbazole
CID 144560197

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine (CID 146936171) is 6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine is CCn1c(-c2ccc(-c3cccc4c3nc(-c3cccc(-n5c6ccccc6c6ccccc65)c3)c3ccc5ccccc5c34)cc2)nc2ccccc21.
What is the InChIKey of 6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine?
The InChIKey is AFYYQLBWYGVALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-2-53-46-24-10-7-21-43(46)51-50(53)34-27-25-33(26-28-34)38-19-12-20-41-47-37-16-4-3-13-32(37)29-30-42(47)48(52-49(38)41)35-14-11-15-36(31-35)54-44-22-8-5-17-39(44)40-18-6-9-23-45(40)54/h3-31H,2H2,1H3.
What are the key properties of 6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine?
6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine has a molecular weight of 690.85 g/mol, XLogP of 13.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbazol-9-ylphenyl)-4-[4-(1-ethylbenzimidazol-2-yl)phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 146936171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).