9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole

C47H28N4O — CID 146333965

IUPAC9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c45)n3)ccc2c1
InChIInChI=1S/C47H28N4O/c1-3-12-31-26-33(22-20-29(31)10-1)45-48-46(34-23-21-30-11-2-4-13-32(30)27-34)50-47(49-45)39-16-9-19-42-44(39)38-25-24-35(28-43(38)52-42)51-40-17-7-5-14-36(40)37-15-6-8-18-41(37)51/h1-28H
InChIKeyHLTIHPAYVOAUCH-UHFFFAOYSA-N
MW664.77 g/mol
LogP12.18
Rot. Bonds4

About 9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole

9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole (PubChem CID 146333965) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
PubChem CID146333965
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c45)n3)ccc2c1
InChIInChI=1S/C47H28N4O/c1-3-12-31-26-33(22-20-29(31)10-1)45-48-46(34-23-21-30-11-2-4-13-32(30)27-34)50-47(49-45)39-16-9-19-42-44(39)38-25-24-35(28-43(38)52-42)51-40-17-7-5-14-36(40)37-15-6-8-18-41(37)51/h1-28H
InChIKeyHLTIHPAYVOAUCH-UHFFFAOYSA-N
XLogP12.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167031824
9-[4-[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032163
9-[9-(4-chrysen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 176817892
9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 146334377
9-[4-(7-carbazol-9-yldibenzofuran-1-yl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]carbazole
CID 170372151
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-phenylbenzo[c]carbazole
CID 146491044
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 169011493
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl]carbazole
CID 162781295
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342726

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole (CID 146333965) is 9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c45)n3)ccc2c1.
What is the InChIKey of 9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole?
The InChIKey is HLTIHPAYVOAUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c1-3-12-31-26-33(22-20-29(31)10-1)45-48-46(34-23-21-30-11-2-4-13-32(30)27-34)50-47(49-45)39-16-9-19-42-44(39)38-25-24-35(28-43(38)52-42)51-40-17-7-5-14-36(40)37-15-6-8-18-41(37)51/h1-28H.
What are the key properties of 9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole?
9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole has a molecular weight of 664.77 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 146333965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).