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

C63H39N5O — CID 130327397

IUPAC3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)ccc43)c2)cc1
InChIInChI=1S/C63H39N5O/c1-4-17-40(18-5-1)45-35-46(41-19-6-2-7-20-41)37-47(36-45)67-54-27-13-10-23-48(54)52-38-43(31-33-56(52)67)44-32-34-57-53(39-44)49-24-11-14-28-55(49)68(57)63-65-61(42-21-8-3-9-22-42)64-62(66-63)51-26-16-30-59-60(51)50-25-12-15-29-58(50)69-59/h1-39H
InChIKeyZSXNBDBCINCQJF-UHFFFAOYSA-N
MW882.04 g/mol
LogP16.30
Rot. Bonds7

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

3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole (PubChem CID 130327397) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
PubChem CID130327397
Molecular FormulaC63H39N5O
Molecular Weight882.04 g/mol
Exact Mass881.32
IUPAC Name3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)ccc43)c2)cc1
InChIInChI=1S/C63H39N5O/c1-4-17-40(18-5-1)45-35-46(41-19-6-2-7-20-41)37-47(36-45)67-54-27-13-10-23-48(54)52-38-43(31-33-56(52)67)44-32-34-57-53(39-44)49-24-11-14-28-55(49)68(57)63-65-61(42-21-8-3-9-22-42)64-62(66-63)51-26-16-30-59-60(51)50-25-12-15-29-58(50)69-59/h1-39H
InChIKeyZSXNBDBCINCQJF-UHFFFAOYSA-N
XLogP16.30
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.04
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[8-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377414
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
3-dibenzofuran-1-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165052317
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149426
9-[4-phenyl-6-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060933
9-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 135143755
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
CID 142377731

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole (CID 130327397) is 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)ccc43)c2)cc1.
What is the InChIKey of 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole?
The InChIKey is ZSXNBDBCINCQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-4-17-40(18-5-1)45-35-46(41-19-6-2-7-20-41)37-47(36-45)67-54-27-13-10-23-48(54)52-38-43(31-33-56(52)67)44-32-34-57-53(39-44)49-24-11-14-28-55(49)68(57)63-65-61(42-21-8-3-9-22-42)64-62(66-63)51-26-16-30-59-60(51)50-25-12-15-29-58(50)69-59/h1-39H.
What are the key properties of 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole?
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole has a molecular weight of 882.04 g/mol, XLogP of 16.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole is sourced from PubChem (CID 130327397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).