1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole

C166H107N11 — CID 159673593

IUPAC1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3c3ncccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cn3)c([2H])c([2H])c1n2-c1ccccc1
InChIInChI=1S/C60H39N3.2C53H34N4/c1-4-14-40(15-5-1)42-26-33-59-53(37-42)54-39-45(29-35-60(54)62(59)47-18-8-3-9-19-47)44-28-34-58-52(38-44)50-21-11-13-23-56(50)63(58)48-30-24-41(25-31-48)43-27-32-57-51(36-43)49-20-10-12-22-55(49)61(57)46-16-6-2-7-17-46;1-3-13-39(14-4-1)55-47-20-10-7-17-41(47)44-31-35(23-27-50(44)55)36-24-29-52-46(32-36)43-19-9-12-22-49(43)57(52)53-30-26-38(34-54-53)37-25-28-51-45(33-37)42-18-8-11-21-48(42)56(51)40-15-5-2-6-16-40;1-3-12-39(13-4-1)55-47-18-9-7-16-42(47)44-32-37(24-28-49(44)55)38-25-29-50-45(33-38)43-17-8-10-19-48(43)56(50)41-26-21-35(22-27-41)36-23-30-51-46(34-36)53-52(20-11-31-54-53)57(51)40-14-5-2-6-15-40/h1-39H;2*1-34H/i2D,6D,7D,16D,17D;7D,10D,17D,20D,23D,27D,31D;2D,5D,6D,14D,15D
InChIKeyMUHRJXMLINFIQC-IAYHNQBPSA-N
MW2272.86 g/mol
LogP43.39
Rot. Bonds16

About 1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole

1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole (PubChem CID 159673593) has the molecular formula C166H107N11 and a molecular weight of 2272.86 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole
PubChem CID159673593
Molecular FormulaC166H107N11
Molecular Weight2272.86 g/mol
Exact Mass2270.98
IUPAC Name1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3c3ncccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cn3)c([2H])c([2H])c1n2-c1ccccc1
InChIInChI=1S/C60H39N3.2C53H34N4/c1-4-14-40(15-5-1)42-26-33-59-53(37-42)54-39-45(29-35-60(54)62(59)47-18-8-3-9-19-47)44-28-34-58-52(38-44)50-21-11-13-23-56(50)63(58)48-30-24-41(25-31-48)43-27-32-57-51(36-43)49-20-10-12-22-55(49)61(57)46-16-6-2-7-17-46;1-3-13-39(14-4-1)55-47-20-10-7-17-41(47)44-31-35(23-27-50(44)55)36-24-29-52-46(32-36)43-19-9-12-22-49(43)57(52)53-30-26-38(34-54-53)37-25-28-51-45(33-37)42-18-8-11-21-48(42)56(51)40-15-5-2-6-16-40;1-3-12-39(13-4-1)55-47-18-9-7-16-42(47)44-32-37(24-28-49(44)55)38-25-29-50-45(33-38)43-17-8-10-19-48(43)56(50)41-26-21-35(22-27-41)36-23-30-51-46(34-36)53-52(20-11-31-54-53)57(51)40-14-5-2-6-15-40/h1-39H;2*1-34H/i2D,6D,7D,16D,17D;7D,10D,17D,20D,23D,27D,31D;2D,5D,6D,14D,15D
InChIKeyMUHRJXMLINFIQC-IAYHNQBPSA-N
XLogP43.39
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002272.86
LogP ≤ 543.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole with MolForge

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Related Compounds

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167377908
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;1,2,3,4,5,7,8-heptadeuterio-6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158327802
1,2,3,4,5,7,8-heptadeuterio-9-(4-deuteriophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 172512017
3-(9-phenylcarbazol-3-yl)-9-(5-phenyl-2-pyridinyl)carbazole
CID 118581881
2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline;2,3,5,6-tetradeuterio-4-[9-(4-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 167562102
1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164788730
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
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-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole
CID 169012283
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
1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169011858
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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole?
The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole (CID 159673593) is 1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole is [2H]c1c([2H])c([2H])c(-n2c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3c3ncccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cn3)c([2H])c([2H])c1n2-c1ccccc1.
What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole?
The InChIKey is MUHRJXMLINFIQC-IAYHNQBPSA-N. The full InChI is InChI=1S/C60H39N3.2C53H34N4/c1-4-14-40(15-5-1)42-26-33-59-53(37-42)54-39-45(29-35-60(54)62(59)47-18-8-3-9-19-47)44-28-34-58-52(38-44)50-21-11-13-23-56(50)63(58)48-30-24-41(25-31-48)43-27-32-57-51(36-43)49-20-10-12-22-55(49)61(57)46-16-6-2-7-17-46;1-3-13-39(14-4-1)55-47-20-10-7-17-41(47)44-31-35(23-27-50(44)55)36-24-29-52-46(32-36)43-19-9-12-22-49(43)57(52)53-30-26-38(34-54-53)37-25-28-51-45(33-37)42-18-8-11-21-48(42)56(51)40-15-5-2-6-16-40;1-3-12-39(13-4-1)55-47-18-9-7-16-42(47)44-32-37(24-28-49(44)55)38-25-29-50-45(33-38)43-17-8-10-19-48(43)56(50)41-26-21-35(22-27-41)36-23-30-51-46(34-36)53-52(20-11-31-54-53)57(51)40-14-5-2-6-15-40/h1-39H;2*1-34H/i2D,6D,7D,16D,17D;7D,10D,17D,20D,23D,27D,31D;2D,5D,6D,14D,15D.
What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole?
1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole has a molecular weight of 2272.86 g/mol, XLogP of 43.39, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8-heptadeuterio-9-phenyl-6-[9-[5-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazol-3-yl]carbazole;3-[9-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole;5-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 159673593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).