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

C57H31ClN4OS — CID 142571379

IUPAC8-[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
SMILESClc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3c(c2)oc2ccc(-c4cccc5c4ccc4sc6c(-c7cccc8c7[nH]c7ccc9ccccc9c78)cccc6c45)cc23)n1
InChIInChI=1S/C57H31ClN4OS/c58-57-61-55(35-19-18-31-8-1-2-10-33(31)28-35)60-56(62-57)36-20-23-40-46-29-34(22-26-48(46)63-49(40)30-36)37-12-5-13-41-39(37)24-27-50-52(41)45-17-7-15-43(54(45)64-50)42-14-6-16-44-51-38-11-4-3-9-32(38)21-25-47(51)59-53(42)44/h1-30,59H
InChIKeyBRSPZTZQAWQPQH-UHFFFAOYSA-N
MW855.42 g/mol
LogP16.55
Rot. Bonds4

About 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

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 (PubChem CID 142571379) has the molecular formula C57H31ClN4OS and a molecular weight of 855.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID142571379
Molecular FormulaC57H31ClN4OS
Molecular Weight855.42 g/mol
Exact Mass854.19
IUPAC Name8-[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
SMILESClc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3c(c2)oc2ccc(-c4cccc5c4ccc4sc6c(-c7cccc8c7[nH]c7ccc9ccccc9c78)cccc6c45)cc23)n1
InChIInChI=1S/C57H31ClN4OS/c58-57-61-55(35-19-18-31-8-1-2-10-33(31)28-35)60-56(62-57)36-20-23-40-46-29-34(22-26-48(46)63-49(40)30-36)37-12-5-13-41-39(37)24-27-50-52(41)45-17-7-15-43(54(45)64-50)42-14-6-16-44-51-38-11-4-3-9-32(38)21-25-47(51)59-53(42)44/h1-30,59H
InChIKeyBRSPZTZQAWQPQH-UHFFFAOYSA-N
XLogP16.55
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.42
LogP ≤ 516.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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
5-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-naphtho[2,1-b][1]benzothiol-8-ylbenzo[b]carbazole;ethane
CID 142570393
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
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole
CID 142572075
2-dibenzofuran-3-yl-4-[6-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192726
2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 171439501
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-naphtho[1,2-b][1]benzothiol-7-yl-1,3,5-triazine
CID 162696771
2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine
CID 162504545
2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole
CID 171411414
2-chloro-4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-[7-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazine;2-chloro-4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[7-[2-(3-phenylphenyl)phenyl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 159662397

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3c(c2)oc2ccc(-c4cccc5c4ccc4sc6c(-c7cccc8c7[nH]c7ccc9ccccc9c78)cccc6c45)cc23)n1.
What is the InChIKey of 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?
The InChIKey is BRSPZTZQAWQPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H31ClN4OS/c58-57-61-55(35-19-18-31-8-1-2-10-33(31)28-35)60-56(62-57)36-20-23-40-46-29-34(22-26-48(46)63-49(40)30-36)37-12-5-13-41-39(37)24-27-50-52(41)45-17-7-15-43(54(45)64-50)42-14-6-16-44-51-38-11-4-3-9-32(38)21-25-47(51)59-53(42)44/h1-30,59H.
What are the key properties of 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?
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 has a molecular weight of 855.42 g/mol, XLogP of 16.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142571379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).