9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole

C63H38N6S — CID 177130502

IUPAC9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)nc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)n1
InChIInChI=1S/C63H38N6S/c1-8-29-50-42(20-1)43-21-2-9-30-51(43)67(50)55-34-13-6-26-49(55)62-64-61(40-19-15-18-39(38-40)41-27-16-28-47-46-24-7-14-37-58(46)70-60(41)47)65-63(66-62)69-54-33-12-5-25-48(54)59-56(35-17-36-57(59)69)68-52-31-10-3-22-44(52)45-23-4-11-32-53(45)68/h1-38H/i1D,2D,8D,20D,21D,29D,30D
InChIKeyCAJOVVBQYHXNKQ-VMERYJQESA-N
MW918.15 g/mol
LogP16.53
Rot. Bonds6

About 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole

9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole (PubChem CID 177130502) has the molecular formula C63H38N6S and a molecular weight of 918.15 g/mol. Its IUPAC name is 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole.

Molecular Properties

Compound Name9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
PubChem CID177130502
Molecular FormulaC63H38N6S
Molecular Weight918.15 g/mol
Exact Mass917.33
IUPAC Name9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)nc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)n1
InChIInChI=1S/C63H38N6S/c1-8-29-50-42(20-1)43-21-2-9-30-51(43)67(50)55-34-13-6-26-49(55)62-64-61(40-19-15-18-39(38-40)41-27-16-28-47-46-24-7-14-37-58(46)70-60(41)47)65-63(66-62)69-54-33-12-5-25-48(54)59-56(35-17-36-57(59)69)68-52-31-10-3-22-44(52)45-23-4-11-32-53(45)68/h1-38H/i1D,2D,8D,20D,21D,29D,30D
InChIKeyCAJOVVBQYHXNKQ-VMERYJQESA-N
XLogP16.53
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.15
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole with MolForge

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Related Compounds

1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130330
9-[2-[4-(4-carbazol-9-ylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
CID 177130636
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130291
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130504
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130514
1,3,4,5,6,8-hexadeuterio-9-[5-dibenzothiophen-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 172525977
1,3,4,5,6,8-hexadeuterio-9-[4-dibenzothiophen-4-yl-2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 172525924
1,2,3,4,5,6,7,8-octadeuterio-9-[2-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167345661
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3,5-diphenylphenyl)-6-[3-(1,2,6,8,9-pentadeuteriodibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130481
1,2,3,4,5,6,7,8-octadeuterio-9-[2-[4-[3-(1,2,6,8,9-pentadeuteriodibenzothiophen-4-yl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130647
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(2,6-diphenylphenyl)-6-[3-(1,2,6,8,9-pentadeuteriodibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130613
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-dibenzofuran-2-yl-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130679

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?
The IUPAC name of 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole (CID 177130502) is 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole.
What is the SMILES notation for 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?
The canonical SMILES for 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)nc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)n1.
What is the InChIKey of 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?
The InChIKey is CAJOVVBQYHXNKQ-VMERYJQESA-N. The full InChI is InChI=1S/C63H38N6S/c1-8-29-50-42(20-1)43-21-2-9-30-51(43)67(50)55-34-13-6-26-49(55)62-64-61(40-19-15-18-39(38-40)41-27-16-28-47-46-24-7-14-37-58(46)70-60(41)47)65-63(66-62)69-54-33-12-5-25-48(54)59-56(35-17-36-57(59)69)68-52-31-10-3-22-44(52)45-23-4-11-32-53(45)68/h1-38H/i1D,2D,8D,20D,21D,29D,30D.
What are the key properties of 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole has a molecular weight of 918.15 g/mol, XLogP of 16.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole is sourced from PubChem (CID 177130502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).