1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole

C42H26N2O — CID 166046955

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1
InChIInChI=1S/C42H26N2O/c1-2-10-29(11-3-1)43-39-17-9-6-14-33(39)34-24-27(18-21-40(34)43)28-19-22-41-35(25-28)36-26-30(20-23-42(36)45-41)44-37-15-7-4-12-31(37)32-13-5-8-16-38(32)44/h1-26H/i4D,5D,7D,8D,12D,13D,15D,16D
InChIKeyHPOMQESOFNPPMK-YHBJRZOZSA-N
MW582.73 g/mol
LogP11.45
Rot. Bonds3

About 1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole (PubChem CID 166046955) has the molecular formula C42H26N2O and a molecular weight of 582.73 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
PubChem CID166046955
Molecular FormulaC42H26N2O
Molecular Weight582.73 g/mol
Exact Mass582.25
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1
InChIInChI=1S/C42H26N2O/c1-2-10-29(11-3-1)43-39-17-9-6-14-33(39)34-24-27(18-21-40(34)43)28-19-22-41-35(25-28)36-26-30(20-23-42(36)45-41)44-37-15-7-4-12-31(37)32-13-5-8-16-38(32)44/h1-26H/i4D,5D,7D,8D,12D,13D,15D,16D
InChIKeyHPOMQESOFNPPMK-YHBJRZOZSA-N
XLogP11.45
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.73
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole (CID 166046955) is 1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?
The InChIKey is HPOMQESOFNPPMK-YHBJRZOZSA-N. The full InChI is InChI=1S/C42H26N2O/c1-2-10-29(11-3-1)43-39-17-9-6-14-33(39)34-24-27(18-21-40(34)43)28-19-22-41-35(25-28)36-26-30(20-23-42(36)45-41)44-37-15-7-4-12-31(37)32-13-5-8-16-38(32)44/h1-26H/i4D,5D,7D,8D,12D,13D,15D,16D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole has a molecular weight of 582.73 g/mol, XLogP of 11.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 166046955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).