1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole

C60H39N3 — CID 177280548

IUPAC1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c6c(c5[2H])c5c([2H])c([2H])c([2H])c([2H])c5n6-c5ccccc5-c5ccccc5)c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C60H39N3/c1-3-16-40(17-4-1)42-20-15-21-45(36-42)61-56-28-13-9-25-50(56)53-39-46(32-35-59(53)61)62-55-27-12-8-23-48(55)51-37-43(30-33-58(51)62)44-31-34-60-52(38-44)49-24-10-14-29-57(49)63(60)54-26-11-7-22-47(54)41-18-5-2-6-19-41/h1-39H/i8D,9D,10D,12D,13D,14D,23D,24D,25D,27D,28D,29D,30D,31D,32D,33D,34D,35D,37D,38D,39D
InChIKeyLRGHHZOOYSIRKU-JBCQVSROSA-N
MW823.12 g/mol
LogP15.98
Rot. Bonds6

About 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 177280548) has the molecular formula C60H39N3 and a molecular weight of 823.12 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
PubChem CID177280548
Molecular FormulaC60H39N3
Molecular Weight823.12 g/mol
Exact Mass822.45
IUPAC Name1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c6c(c5[2H])c5c([2H])c([2H])c([2H])c([2H])c5n6-c5ccccc5-c5ccccc5)c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C60H39N3/c1-3-16-40(17-4-1)42-20-15-21-45(36-42)61-56-28-13-9-25-50(56)53-39-46(32-35-59(53)61)62-55-27-12-8-23-48(55)51-37-43(30-33-58(51)62)44-31-34-60-52(38-44)49-24-10-14-29-57(49)63(60)54-26-11-7-22-47(54)41-18-5-2-6-19-41/h1-39H/i8D,9D,10D,12D,13D,14D,23D,24D,25D,27D,28D,29D,30D,31D,32D,33D,34D,35D,37D,38D,39D
InChIKeyLRGHHZOOYSIRKU-JBCQVSROSA-N
XLogP15.98
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.12
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole with MolForge

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[3-[2-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazole
CID 177115671
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-[4-(4-phenylphenyl)phenyl]-6-[6-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169011906
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 172512108
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
1,2,3,4,5,7,8-heptadeuterio-6-(5,9-diphenylcarbazol-3-yl)-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169012054
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170518251
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-9-(3-phenylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole
CID 177280490
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]carbazole
CID 164788576
1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazol-2-yl]carbazole
CID 170659950
1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 177280501

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole (CID 177280548) is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c6c(c5[2H])c5c([2H])c([2H])c([2H])c([2H])c5n6-c5ccccc5-c5ccccc5)c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is LRGHHZOOYSIRKU-JBCQVSROSA-N. The full InChI is InChI=1S/C60H39N3/c1-3-16-40(17-4-1)42-20-15-21-45(36-42)61-56-28-13-9-25-50(56)53-39-46(32-35-59(53)61)62-55-27-12-8-23-48(55)51-37-43(30-33-58(51)62)44-31-34-60-52(38-44)49-24-10-14-29-57(49)63(60)54-26-11-7-22-47(54)41-18-5-2-6-19-41/h1-39H/i8D,9D,10D,12D,13D,14D,23D,24D,25D,27D,28D,29D,30D,31D,32D,33D,34D,35D,37D,38D,39D.
What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 823.12 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 177280548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).