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

C59H35ClN4S — CID 142570011

IUPAC4-[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
SMILESClc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3cccc(-c4ccc5c(ccc6sc7c(-c8cccc9c8[nH]c8cc%10ccccc%10cc89)cccc7c65)c4)c3)cc2)n1
InChIInChI=1S/C59H35ClN4S/c60-59-63-57(38-23-19-36(20-24-38)35-9-2-1-3-10-35)62-58(64-59)39-25-21-37(22-26-39)40-13-6-14-41(31-40)44-27-29-46-45(32-44)28-30-53-54(46)50-18-8-17-49(56(50)65-53)47-15-7-16-48-51-33-42-11-4-5-12-43(42)34-52(51)61-55(47)48/h1-34,61H
InChIKeyXFNABNFPUCSJJP-UHFFFAOYSA-N
MW867.48 g/mol
LogP16.84
Rot. Bonds6

About 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

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 (PubChem CID 142570011) has the molecular formula C59H35ClN4S and a molecular weight of 867.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID142570011
Molecular FormulaC59H35ClN4S
Molecular Weight867.48 g/mol
Exact Mass866.23
IUPAC Name4-[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
SMILESClc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3cccc(-c4ccc5c(ccc6sc7c(-c8cccc9c8[nH]c8cc%10ccccc%10cc89)cccc7c65)c4)c3)cc2)n1
InChIInChI=1S/C59H35ClN4S/c60-59-63-57(38-23-19-36(20-24-38)35-9-2-1-3-10-35)62-58(64-59)39-25-21-37(22-26-39)40-13-6-14-41(31-40)44-27-29-46-45(32-44)28-30-53-54(46)50-18-8-17-49(56(50)65-53)47-15-7-16-48-51-33-42-11-4-5-12-43(42)34-52(51)61-55(47)48/h1-34,61H
InChIKeyXFNABNFPUCSJJP-UHFFFAOYSA-N
XLogP16.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.48
LogP ≤ 516.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole
CID 142570032
8-[4-[7-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]naphtho[2,1-b][1]benzothiol-8-yl]-7H-benzo[c]carbazole
CID 142571379
2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine
CID 138519538
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
2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845132
2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828340
2-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 164808507
2-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 164808570
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[3-(9-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 170214084
4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole
CID 142572200
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199444

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3cccc(-c4ccc5c(ccc6sc7c(-c8cccc9c8[nH]c8cc%10ccccc%10cc89)cccc7c65)c4)c3)cc2)n1.
What is the InChIKey of 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?
The InChIKey is XFNABNFPUCSJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35ClN4S/c60-59-63-57(38-23-19-36(20-24-38)35-9-2-1-3-10-35)62-58(64-59)39-25-21-37(22-26-39)40-13-6-14-41(31-40)44-27-29-46-45(32-44)28-30-53-54(46)50-18-8-17-49(56(50)65-53)47-15-7-16-48-51-33-42-11-4-5-12-43(42)34-52(51)61-55(47)48/h1-34,61H.
What are the key properties of 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?
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 has a molecular weight of 867.48 g/mol, XLogP of 16.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142570011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).