9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole

C30H18ClNO — CID 172525825

IUPAC9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1ccc(-c2cccc3c2oc2ccccc23)cc1Cl
InChIInChI=1S/C30H18ClNO/c31-25-18-19(20-11-7-12-24-23-10-3-6-15-29(23)33-30(20)24)16-17-28(25)32-26-13-4-1-8-21(26)22-9-2-5-14-27(22)32/h1-18H/i1D,2D,8D,9D,13D,14D
InChIKeySUXMVDBDXOAZNO-NHHGYIAQSA-N
MW449.97 g/mol
LogP9.00
Rot. Bonds2

About 9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole

9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole (PubChem CID 172525825) has the molecular formula C30H18ClNO and a molecular weight of 449.97 g/mol. Its IUPAC name is 9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole.

Molecular Properties

Compound Name9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole
PubChem CID172525825
Molecular FormulaC30H18ClNO
Molecular Weight449.97 g/mol
Exact Mass449.15
IUPAC Name9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1ccc(-c2cccc3c2oc2ccccc23)cc1Cl
InChIInChI=1S/C30H18ClNO/c31-25-18-19(20-11-7-12-24-23-10-3-6-15-29(23)33-30(20)24)16-17-28(25)32-26-13-4-1-8-21(26)22-9-2-5-14-27(22)32/h1-18H/i1D,2D,8D,9D,13D,14D
InChIKeySUXMVDBDXOAZNO-NHHGYIAQSA-N
XLogP9.00
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.97
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-dibenzofuran-4-ylphenyl]-1,3,4,5,6,8-hexadeuteriocarbazole
CID 172525899
1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-4-yl-2-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 172525687
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130575
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130587
9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
CID 177130463
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130706
1,3,4,5,6,8-hexadeuterio-9-[5-dibenzofuran-4-yl-2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 172525850
1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 171414836
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
4,5,7,16,18,19-hexadeuterio-14-[5-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 172525906
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130467
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-dibenzofuran-3-yl-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130283

Frequently Asked Questions

What is the IUPAC name of 9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole?
The IUPAC name of 9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole (CID 172525825) is 9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole.
What is the SMILES notation for 9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole?
The canonical SMILES for 9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1ccc(-c2cccc3c2oc2ccccc23)cc1Cl.
What is the InChIKey of 9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole?
The InChIKey is SUXMVDBDXOAZNO-NHHGYIAQSA-N. The full InChI is InChI=1S/C30H18ClNO/c31-25-18-19(20-11-7-12-24-23-10-3-6-15-29(23)33-30(20)24)16-17-28(25)32-26-13-4-1-8-21(26)22-9-2-5-14-27(22)32/h1-18H/i1D,2D,8D,9D,13D,14D.
What are the key properties of 9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole?
9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole has a molecular weight of 449.97 g/mol, XLogP of 9.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloro-4-dibenzofuran-4-ylphenyl)-1,3,4,5,6,8-hexadeuteriocarbazole is sourced from PubChem (CID 172525825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).