2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline

C60H39N3O — CID 177077305

IUPAC2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3oc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8Nc8ccccc8)c7)ccc65)cc4c23)c([2H])c1[2H]
InChIInChI=1S/C60H39N3O/c1-3-15-39(16-4-1)47-24-14-28-59-60(47)52-38-45(31-34-58(52)64-59)63-55-27-12-9-23-49(55)51-37-41(30-33-57(51)63)40-29-32-56-50(36-40)48-22-8-11-26-54(48)62(56)44-20-13-17-42(35-44)46-21-7-10-25-53(46)61-43-18-5-2-6-19-43/h1-38,61H/i1D,3D,4D,15D,16D
InChIKeyXCDONMQLRKSIQY-HKAAOZRYSA-N
MW823.02 g/mol
LogP16.52
Rot. Bonds7

About 2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline

2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline (PubChem CID 177077305) has the molecular formula C60H39N3O and a molecular weight of 823.02 g/mol. Its IUPAC name is 2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline
PubChem CID177077305
Molecular FormulaC60H39N3O
Molecular Weight823.02 g/mol
Exact Mass822.34
IUPAC Name2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3oc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8Nc8ccccc8)c7)ccc65)cc4c23)c([2H])c1[2H]
InChIInChI=1S/C60H39N3O/c1-3-15-39(16-4-1)47-24-14-28-59-60(47)52-38-45(31-34-58(52)64-59)63-55-27-12-9-23-49(55)51-37-41(30-33-57(51)63)40-29-32-56-50(36-40)48-22-8-11-26-54(48)62(56)44-20-13-17-42(35-44)46-21-7-10-25-53(46)61-43-18-5-2-6-19-43/h1-38,61H/i1D,3D,4D,15D,16D
InChIKeyXCDONMQLRKSIQY-HKAAOZRYSA-N
XLogP16.52
TPSA35.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.02
LogP ≤ 516.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline with MolForge

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Related Compounds

2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 177077466
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
CID 177077333
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole
CID 177077281
N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 118907859
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-N,2-diphenylaniline
CID 118534077
3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole
CID 177077405
9-(3-dibenzofuran-2-ylphenyl)-3,6-bis(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172524297
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline?
The IUPAC name of 2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline (CID 177077305) is 2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline.
What is the SMILES notation for 2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline?
The canonical SMILES for 2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline is [2H]c1c([2H])c([2H])c(-c2cccc3oc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8Nc8ccccc8)c7)ccc65)cc4c23)c([2H])c1[2H].
What is the InChIKey of 2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline?
The InChIKey is XCDONMQLRKSIQY-HKAAOZRYSA-N. The full InChI is InChI=1S/C60H39N3O/c1-3-15-39(16-4-1)47-24-14-28-59-60(47)52-38-45(31-34-58(52)64-59)63-55-27-12-9-23-49(55)51-37-41(30-33-57(51)63)40-29-32-56-50(36-40)48-22-8-11-26-54(48)62(56)44-20-13-17-42(35-44)46-21-7-10-25-53(46)61-43-18-5-2-6-19-43/h1-38,61H/i1D,3D,4D,15D,16D.
What are the key properties of 2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline?
2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline has a molecular weight of 823.02 g/mol, XLogP of 16.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 177077305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).