4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole

C59H35ClN4O — CID 142569780

IUPAC4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole
SMILESClc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccc(-c4cc5ccccc5c5c4oc4cc(-c6cccc7c6[nH]c6cc8ccccc8cc67)ccc45)cc3)cc2)n1
InChIInChI=1S/C59H35ClN4O/c60-59-63-57(40-25-19-36(20-26-40)35-9-2-1-3-10-35)62-58(64-59)41-27-21-38(22-28-41)37-17-23-39(24-18-37)50-32-44-13-6-7-14-46(44)54-49-30-29-45(34-53(49)65-56(50)54)47-15-8-16-48-51-31-42-11-4-5-12-43(42)33-52(51)61-55(47)48/h1-34,61H
InChIKeyYXVAEPOAASJMTK-UHFFFAOYSA-N
MW851.41 g/mol
LogP16.37
Rot. Bonds6

About 4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole

4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole (PubChem CID 142569780) has the molecular formula C59H35ClN4O and a molecular weight of 851.41 g/mol. Its IUPAC name is 4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole.

Molecular Properties

Compound Name4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole
PubChem CID142569780
Molecular FormulaC59H35ClN4O
Molecular Weight851.41 g/mol
Exact Mass850.25
IUPAC Name4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole
SMILESClc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccc(-c4cc5ccccc5c5c4oc4cc(-c6cccc7c6[nH]c6cc8ccccc8cc67)ccc45)cc3)cc2)n1
InChIInChI=1S/C59H35ClN4O/c60-59-63-57(40-25-19-36(20-26-40)35-9-2-1-3-10-35)62-58(64-59)41-27-21-38(22-28-41)37-17-23-39(24-18-37)50-32-44-13-6-7-14-46(44)54-49-30-29-45(34-53(49)65-56(50)54)47-15-8-16-48-51-31-42-11-4-5-12-43(42)33-52(51)61-55(47)48/h1-34,61H
InChIKeyYXVAEPOAASJMTK-UHFFFAOYSA-N
XLogP16.37
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.41
LogP ≤ 516.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole with MolForge

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Related Compounds

8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole
CID 142570232
2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine
CID 163523335
4-[3-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzothiol-8-yl]-5H-benzo[b]carbazole
CID 142570011
8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole
CID 142568610
2-chloro-4-phenyl-6-[7-[2-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 155096824
2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 138519716
2-chloro-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 147220347
2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 177130949
2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797827
8-[4-[7-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]naphtho[2,1-b][1]benzofuran-8-yl]-7H-benzo[c]carbazole
CID 142570333
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole?
The IUPAC name of 4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole (CID 142569780) is 4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole.
What is the SMILES notation for 4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole?
The canonical SMILES for 4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole is Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccc(-c4cc5ccccc5c5c4oc4cc(-c6cccc7c6[nH]c6cc8ccccc8cc67)ccc45)cc3)cc2)n1.
What is the InChIKey of 4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole?
The InChIKey is YXVAEPOAASJMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35ClN4O/c60-59-63-57(40-25-19-36(20-26-40)35-9-2-1-3-10-35)62-58(64-59)41-27-21-38(22-28-41)37-17-23-39(24-18-37)50-32-44-13-6-7-14-46(44)54-49-30-29-45(34-53(49)65-56(50)54)47-15-8-16-48-51-31-42-11-4-5-12-43(42)33-52(51)61-55(47)48/h1-34,61H.
What are the key properties of 4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole?
4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole has a molecular weight of 851.41 g/mol, XLogP of 16.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzofuran-9-yl]-5H-benzo[b]carbazole is sourced from PubChem (CID 142569780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).