5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole

C43H26N4 — CID 170110356

IUPAC5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccc5ccc6ccccc6c5c4c3)nc(-n3c4ccccc4c4cc5ccccc5cc43)n2)cc1
InChIInChI=1S/C43H26N4/c1-2-11-30(12-3-1)41-44-42(33-23-20-28-19-22-29-21-18-27-10-6-7-15-34(27)40(29)36(28)25-33)46-43(45-41)47-38-17-9-8-16-35(38)37-24-31-13-4-5-14-32(31)26-39(37)47/h1-26H
InChIKeyYIXLWFFHVPCTTK-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.92
Rot. Bonds3

About 5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole

5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole (PubChem CID 170110356) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
PubChem CID170110356
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccc5ccc6ccccc6c5c4c3)nc(-n3c4ccccc4c4cc5ccccc5cc43)n2)cc1
InChIInChI=1S/C43H26N4/c1-2-11-30(12-3-1)41-44-42(33-23-20-28-19-22-29-21-18-27-10-6-7-15-34(27)40(29)36(28)25-33)46-43(45-41)47-38-17-9-8-16-35(38)37-24-31-13-4-5-14-32(31)26-39(37)47/h1-26H
InChIKeyYIXLWFFHVPCTTK-UHFFFAOYSA-N
XLogP10.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 510.92
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

9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 170108932
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 70836926
2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157427505
1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 155477453
9-[3-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170109000
9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 166916763
22-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597974
3-carbazol-9-yl-6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;11-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole;5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]benzo[b]carbazole;7-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole;5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole;methane
CID 158964122
11-[2-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109291
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 130417457

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole (CID 170110356) is 5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4ccc5ccc6ccccc6c5c4c3)nc(-n3c4ccccc4c4cc5ccccc5cc43)n2)cc1.
What is the InChIKey of 5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
The InChIKey is YIXLWFFHVPCTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c1-2-11-30(12-3-1)41-44-42(33-23-20-28-19-22-29-21-18-27-10-6-7-15-34(27)40(29)36(28)25-33)46-43(45-41)47-38-17-9-8-16-35(38)37-24-31-13-4-5-14-32(31)26-39(37)47/h1-26H.
What are the key properties of 5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole?
5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole has a molecular weight of 598.71 g/mol, XLogP of 10.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 170110356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).