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

C57H31ClN4O2 — CID 142570333

IUPAC8-[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
SMILESClc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3c(c2)oc2ccc(-c4cccc5c4ccc4oc6c(-c7cccc8c7[nH]c7ccc9ccccc9c78)cccc6c45)cc23)n1
InChIInChI=1S/C57H31ClN4O2/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)63-50(40)30-36)37-12-5-13-41-39(37)24-27-49-52(41)45-17-7-15-43(54(45)64-49)42-14-6-16-44-51-38-11-4-3-9-32(38)21-25-47(51)59-53(42)44/h1-30,59H
InChIKeyMKAPEFNBJWJGGA-UHFFFAOYSA-N
MW839.35 g/mol
LogP16.09
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]benzofuran-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]benzofuran-8-yl]-7H-benzo[c]carbazole (PubChem CID 142570333) has the molecular formula C57H31ClN4O2 and a molecular weight of 839.35 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]benzofuran-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]benzofuran-8-yl]-7H-benzo[c]carbazole
PubChem CID142570333
Molecular FormulaC57H31ClN4O2
Molecular Weight839.35 g/mol
Exact Mass838.21
IUPAC Name8-[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
SMILESClc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3c(c2)oc2ccc(-c4cccc5c4ccc4oc6c(-c7cccc8c7[nH]c7ccc9ccccc9c78)cccc6c45)cc23)n1
InChIInChI=1S/C57H31ClN4O2/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)63-50(40)30-36)37-12-5-13-41-39(37)24-27-49-52(41)45-17-7-15-43(54(45)64-49)42-14-6-16-44-51-38-11-4-3-9-32(38)21-25-47(51)59-53(42)44/h1-30,59H
InChIKeyMKAPEFNBJWJGGA-UHFFFAOYSA-N
XLogP16.09
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.35
LogP ≤ 516.09
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]benzofuran-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]benzothiol-8-yl]-7H-benzo[c]carbazole
CID 142571379
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
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-(8-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-naphthalen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 158406795
8-(3-dibenzofuran-4-ylphenyl)-7H-benzo[c]carbazole
CID 145419361
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 176587967
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
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 171439501
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163856870
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074

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]benzofuran-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]benzofuran-8-yl]-7H-benzo[c]carbazole (CID 142570333) is 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.
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]benzofuran-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]benzofuran-8-yl]-7H-benzo[c]carbazole is Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3c(c2)oc2ccc(-c4cccc5c4ccc4oc6c(-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]benzofuran-8-yl]-7H-benzo[c]carbazole?
The InChIKey is MKAPEFNBJWJGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H31ClN4O2/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)63-50(40)30-36)37-12-5-13-41-39(37)24-27-49-52(41)45-17-7-15-43(54(45)64-49)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]benzofuran-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]benzofuran-8-yl]-7H-benzo[c]carbazole has a molecular weight of 839.35 g/mol, XLogP of 16.09, 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]benzofuran-8-yl]-7H-benzo[c]carbazole is sourced from PubChem (CID 142570333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).