1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole

C97H64N4S — CID 165048186

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole
SMILES[2H]c1c(C)c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cc(-c2ccccc2)cc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C49H32N2S.C48H32N2/c1-31-23-25-40-43-30-36(50-44-20-5-2-15-38(44)39-16-3-6-21-45(39)50)24-26-46(43)51(47(40)27-31)35-14-9-12-33(29-35)32-11-8-13-34(28-32)37-18-10-19-42-41-17-4-7-22-48(41)52-49(37)42;1-3-14-33(15-4-1)35-18-13-19-36(28-35)38-29-37(34-16-5-2-6-17-34)30-40(31-38)50-47-25-12-9-22-43(47)44-32-39(26-27-48(44)50)49-45-23-10-7-20-41(45)42-21-8-11-24-46(42)49/h2-30H,1H3;1-32H/i2D,3D,5D,6D,15D,16D,20D,21D,23D,24D,25D,26D,27D,30D;7D,8D,9D,10D,11D,12D,20D,21D,22D,23D,24D,25D,26D,27D,32D
InChIKeyPFSIFVVMCJAVGW-JHWWWUJGSA-N
MW1346.85 g/mol
LogP26.77
Rot. Bonds9

About 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole (PubChem CID 165048186) has the molecular formula C97H64N4S and a molecular weight of 1346.85 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole
PubChem CID165048186
Molecular FormulaC97H64N4S
Molecular Weight1346.85 g/mol
Exact Mass1345.67
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole
SMILES[2H]c1c(C)c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cc(-c2ccccc2)cc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C49H32N2S.C48H32N2/c1-31-23-25-40-43-30-36(50-44-20-5-2-15-38(44)39-16-3-6-21-45(39)50)24-26-46(43)51(47(40)27-31)35-14-9-12-33(29-35)32-11-8-13-34(28-32)37-18-10-19-42-41-17-4-7-22-48(41)52-49(37)42;1-3-14-33(15-4-1)35-18-13-19-36(28-35)38-29-37(34-16-5-2-6-17-34)30-40(31-38)50-47-25-12-9-22-43(47)44-32-39(26-27-48(44)50)49-45-23-10-7-20-41(45)42-21-8-11-24-46(42)49/h2-30H,1H3;1-32H/i2D,3D,5D,6D,15D,16D,20D,21D,23D,24D,25D,26D,27D,30D;7D,8D,9D,10D,11D,12D,20D,21D,22D,23D,24D,25D,26D,27D,32D
InChIKeyPFSIFVVMCJAVGW-JHWWWUJGSA-N
XLogP26.77
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001346.85
LogP ≤ 526.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole with MolForge

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Related Compounds

9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole
CID 164979806
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]carbazol-3-yl]carbazole
CID 170518263
1,2,3,4,5,6,7,8-octadeuterio-9-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 170536810
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[2-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167345715
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[2-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazole
CID 177115671
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 177280548

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole (CID 165048186) is 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole is [2H]c1c(C)c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cc(-c2ccccc2)cc(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole?
The InChIKey is PFSIFVVMCJAVGW-JHWWWUJGSA-N. The full InChI is InChI=1S/C49H32N2S.C48H32N2/c1-31-23-25-40-43-30-36(50-44-20-5-2-15-38(44)39-16-3-6-21-45(39)50)24-26-46(43)51(47(40)27-31)35-14-9-12-33(29-35)32-11-8-13-34(28-32)37-18-10-19-42-41-17-4-7-22-48(41)52-49(37)42;1-3-14-33(15-4-1)35-18-13-19-36(28-35)38-29-37(34-16-5-2-6-17-34)30-40(31-38)50-47-25-12-9-22-43(47)44-32-39(26-27-48(44)50)49-45-23-10-7-20-41(45)42-21-8-11-24-46(42)49/h2-30H,1H3;1-32H/i2D,3D,5D,6D,15D,16D,20D,21D,23D,24D,25D,26D,27D,30D;7D,8D,9D,10D,11D,12D,20D,21D,22D,23D,24D,25D,26D,27D,32D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole has a molecular weight of 1346.85 g/mol, XLogP of 26.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,8-hexadeuterio-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-methylcarbazol-3-yl]carbazole is sourced from PubChem (CID 165048186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).