5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole

C86H53ClN8O2 — CID 164950412

IUPAC5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESClc1ccc2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc4oc5ccccc5c34)n2)cc1.c1ccc2cc3c(cc2c1)[nH]c1ccccc13
InChIInChI=1S/C43H26N4O.C27H16ClN3O.C16H11N/c1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)40-35(23-24-38-39(40)32-20-10-12-22-37(32)48-38)47-34-21-11-9-19-31(34)33-25-29-17-7-8-18-30(29)26-36(33)47;28-20-15-16-22-23(19-13-7-8-14-21(19)32-22)24(20)27-30-25(17-9-3-1-4-10-17)29-26(31-27)18-11-5-2-6-12-18;1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-26H;1-16H;1-10,17H
InChIKeyALJDAVUKSMYEED-UHFFFAOYSA-N
MW1265.88 g/mol
LogP22.92
Rot. Bonds7

About 5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole

5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 164950412) has the molecular formula C86H53ClN8O2 and a molecular weight of 1265.88 g/mol. Its IUPAC name is 5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID164950412
Molecular FormulaC86H53ClN8O2
Molecular Weight1265.88 g/mol
Exact Mass1264.40
IUPAC Name5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESClc1ccc2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc4oc5ccccc5c34)n2)cc1.c1ccc2cc3c(cc2c1)[nH]c1ccccc13
InChIInChI=1S/C43H26N4O.C27H16ClN3O.C16H11N/c1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)40-35(23-24-38-39(40)32-20-10-12-22-37(32)48-38)47-34-21-11-9-19-31(34)33-25-29-17-7-8-18-30(29)26-36(33)47;28-20-15-16-22-23(19-13-7-8-14-21(19)32-22)24(20)27-30-25(17-9-3-1-4-10-17)29-26(31-27)18-11-5-2-6-12-18;1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-26H;1-16H;1-10,17H
InChIKeyALJDAVUKSMYEED-UHFFFAOYSA-N
XLogP22.92
TPSA124.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001265.88
LogP ≤ 522.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714916
5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714946
5-[1-[4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714728
9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 146816621
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 167032751
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714559
12-[1-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-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 164714868
5-[1-[4-(9-phenylcarbazol-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714619
5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714738
12-[1-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-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 164714931
5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714733
5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714677

Frequently Asked Questions

What is the IUPAC name of 5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 164950412) is 5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is Clc1ccc2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc4oc5ccccc5c34)n2)cc1.c1ccc2cc3c(cc2c1)[nH]c1ccccc13.
What is the InChIKey of 5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is ALJDAVUKSMYEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O.C27H16ClN3O.C16H11N/c1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)40-35(23-24-38-39(40)32-20-10-12-22-37(32)48-38)47-34-21-11-9-19-31(34)33-25-29-17-7-8-18-30(29)26-36(33)47;28-20-15-16-22-23(19-13-7-8-14-21(19)32-22)24(20)27-30-25(17-9-3-1-4-10-17)29-26(31-27)18-11-5-2-6-12-18;1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-26H;1-16H;1-10,17H.
What are the key properties of 5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 1265.88 g/mol, XLogP of 22.92, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 164950412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).