9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole

C42H27NO — CID 172524297

IUPAC9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])ccc2n3-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c([2H])c1[2H]
InChIInChI=1S/C42H27NO/c1-3-10-28(11-4-1)31-18-21-39-36(25-31)37-26-32(29-12-5-2-6-13-29)19-22-40(37)43(39)34-15-9-14-30(24-34)33-20-23-42-38(27-33)35-16-7-8-17-41(35)44-42/h1-27H/i1D,2D,3D,4D,5D,6D,10D,11D,12D,13D
InChIKeyRKKKEDJTAVOPKR-KJIKOLQBSA-N
MW571.75 g/mol
LogP11.68
Rot. Bonds4

About 9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole

9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 172524297) has the molecular formula C42H27NO and a molecular weight of 571.75 g/mol. Its IUPAC name is 9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

Compound Name9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole
PubChem CID172524297
Molecular FormulaC42H27NO
Molecular Weight571.75 g/mol
Exact Mass571.27
IUPAC Name9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])ccc2n3-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c([2H])c1[2H]
InChIInChI=1S/C42H27NO/c1-3-10-28(11-4-1)31-18-21-39-36(25-31)37-26-32(29-12-5-2-6-13-29)19-22-40(37)43(39)34-15-9-14-30(24-34)33-20-23-42-38(27-33)35-16-7-8-17-41(35)44-42/h1-27H/i1D,2D,3D,4D,5D,6D,10D,11D,12D,13D
InChIKeyRKKKEDJTAVOPKR-KJIKOLQBSA-N
XLogP11.68
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.75
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-2-yl-9-[3-(10-phenylanthracen-9-yl)phenyl]-6-(8-phenyldibenzofuran-2-yl)carbazole;3,6-di(dibenzofuran-2-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159175658
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
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
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950
1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113577
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 166046955
3-[8-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 168769843
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422

Frequently Asked Questions

What is the IUPAC name of 9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The IUPAC name of 9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 172524297) is 9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole.
What is the SMILES notation for 9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The canonical SMILES for 9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2cc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])ccc2n3-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c([2H])c1[2H].
What is the InChIKey of 9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The InChIKey is RKKKEDJTAVOPKR-KJIKOLQBSA-N. The full InChI is InChI=1S/C42H27NO/c1-3-10-28(11-4-1)31-18-21-39-36(25-31)37-26-32(29-12-5-2-6-13-29)19-22-40(37)43(39)34-15-9-14-30(24-34)33-20-23-42-38(27-33)35-16-7-8-17-41(35)44-42/h1-27H/i1D,2D,3D,4D,5D,6D,10D,11D,12D,13D.
What are the key properties of 9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole?
9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 571.75 g/mol, XLogP of 11.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 172524297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).