1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole

C52H34N2 — CID 169012283

IUPAC1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3ccc(-c5ccccc5)cc3n4-c3ccccc3)c([2H])c([2H])c1n2-c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C52H34N2/c1-3-12-35(13-4-1)40-24-29-46-48-33-39(26-31-51(48)54(52(46)34-40)41-16-5-2-6-17-41)38-25-30-50-47(32-38)45-19-9-10-21-49(45)53(50)42-27-22-37(23-28-42)44-20-11-15-36-14-7-8-18-43(36)44/h1-34H/i9D,10D,19D,21D,25D,30D,32D
InChIKeyBVDBSVBTXCRRFS-QSTLTEPXSA-N
MW693.90 g/mol
LogP14.03
Rot. Bonds5

About 1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole

1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole (PubChem CID 169012283) has the molecular formula C52H34N2 and a molecular weight of 693.90 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole.

Molecular Properties

Compound Name1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole
PubChem CID169012283
Molecular FormulaC52H34N2
Molecular Weight693.90 g/mol
Exact Mass693.32
IUPAC Name1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3ccc(-c5ccccc5)cc3n4-c3ccccc3)c([2H])c([2H])c1n2-c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C52H34N2/c1-3-12-35(13-4-1)40-24-29-46-48-33-39(26-31-51(48)54(52(46)34-40)41-16-5-2-6-17-41)38-25-30-50-47(32-38)45-19-9-10-21-49(45)53(50)42-27-22-37(23-28-42)44-20-11-15-36-14-7-8-18-43(36)44/h1-34H/i9D,10D,19D,21D,25D,30D,32D
InChIKeyBVDBSVBTXCRRFS-QSTLTEPXSA-N
XLogP14.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.90
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,5,7,8-heptadeuterio-9-[4-(4-phenylphenyl)phenyl]-6-[6-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169011906
1,2,3,4,5,7,8-heptadeuterio-9-(4-deuteriophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 172512017
1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169011797
1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169012272
1,2,3,4,5,7,8-heptadeuterio-9-[4-(4-phenylphenyl)phenyl]-6-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 169012084
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
1,2,3,4,5,7,8-heptadeuterio-6-(5,9-diphenylcarbazol-3-yl)-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169012054
1,2,3,4,5,7,8-heptadeuterio-9-(2-phenylphenyl)-6-[6-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169011849
1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169011812
1,2,4-trideuterio-5,9-bis(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169012061
1,2,3,4,5,7,8-heptadeuterio-6-[5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 169011944
2,4-dideuterio-3-(7,9-diphenylcarbazol-3-yl)-9-phenylcarbazole
CID 169011934

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole?
The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole (CID 169012283) is 1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole.
What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole?
The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3ccc(-c5ccccc5)cc3n4-c3ccccc3)c([2H])c([2H])c1n2-c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole?
The InChIKey is BVDBSVBTXCRRFS-QSTLTEPXSA-N. The full InChI is InChI=1S/C52H34N2/c1-3-12-35(13-4-1)40-24-29-46-48-33-39(26-31-51(48)54(52(46)34-40)41-16-5-2-6-17-41)38-25-30-50-47(32-38)45-19-9-10-21-49(45)53(50)42-27-22-37(23-28-42)44-20-11-15-36-14-7-8-18-43(36)44/h1-34H/i9D,10D,19D,21D,25D,30D,32D.
What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole?
1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole has a molecular weight of 693.90 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole is sourced from PubChem (CID 169012283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).