3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole

C105H65N19 — CID 157140001

IUPAC3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
SMILESc1cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)c1.c1cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)c4)ccc32)c1
InChIInChI=1S/C62H38N12.C43H27N7/c1-3-13-53-49(11-1)51-37-43(15-17-55(51)73(53)47-9-5-7-45(35-47)61-69-57(39-19-27-63-28-20-39)67-58(70-61)40-21-29-64-30-22-40)44-16-18-56-52(38-44)50-12-2-4-14-54(50)74(56)48-10-6-8-46(36-48)62-71-59(41-23-31-65-32-24-41)68-60(72-62)42-25-33-66-34-26-42;1-3-10-37-33(8-1)35-25-29(12-14-38(35)46-37)30-13-15-40-36(26-30)34-9-2-4-11-39(34)50(40)32-7-5-6-31(24-32)43-48-41(27-16-20-44-21-17-27)47-42(49-43)28-18-22-45-23-19-28/h1-38H;1-26,46H
InChIKeyAKBSYCUZIJHEQC-UHFFFAOYSA-N
MW1592.81 g/mol
LogP23.56
Rot. Bonds14

About 3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole

3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole (PubChem CID 157140001) has the molecular formula C105H65N19 and a molecular weight of 1592.81 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
PubChem CID157140001
Molecular FormulaC105H65N19
Molecular Weight1592.81 g/mol
Exact Mass1591.57
IUPAC Name3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
SMILESc1cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)c1.c1cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)c4)ccc32)c1
InChIInChI=1S/C62H38N12.C43H27N7/c1-3-13-53-49(11-1)51-37-43(15-17-55(51)73(53)47-9-5-7-45(35-47)61-69-57(39-19-27-63-28-20-39)67-58(70-61)40-21-29-64-30-22-40)44-16-18-56-52(38-44)50-12-2-4-14-54(50)74(56)48-10-6-8-46(36-48)62-71-59(41-23-31-65-32-24-41)68-60(72-62)42-25-33-66-34-26-42;1-3-10-37-33(8-1)35-25-29(12-14-38(35)46-37)30-13-15-40-36(26-30)34-9-2-4-11-39(34)50(40)32-7-5-6-31(24-32)43-48-41(27-16-20-44-21-17-27)47-42(49-43)28-18-22-45-23-19-28/h1-38H;1-26,46H
InChIKeyAKBSYCUZIJHEQC-UHFFFAOYSA-N
XLogP23.56
TPSA223.93 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001592.81
LogP ≤ 523.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole with MolForge

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Related Compounds

4-(4-benzylphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
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6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenylphenyl)-9H-pyrido[2,3-b]indole
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6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(3-phenylphenyl)-9H-pyrido[2,3-b]indole
CID 72195056
6-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(E)-1-phenylbut-1-enyl]-9H-pyrido[2,3-b]indole
CID 72195334
4-(4-benzylphenyl)-6-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-9H-pyrido[2,3-b]indole
CID 72195474
4-(4-benzylpiperazin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
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4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
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4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 90013908
3,6-bis[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]-9-[4-(4-methylpiperazin-1-yl)butyl]carbazole
CID 137100819
4-[(E)-1,2-diphenylethenyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
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Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole (CID 157140001) is 3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole is c1cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)c1.c1cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)c4)ccc32)c1.
What is the InChIKey of 3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is AKBSYCUZIJHEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N12.C43H27N7/c1-3-13-53-49(11-1)51-37-43(15-17-55(51)73(53)47-9-5-7-45(35-47)61-69-57(39-19-27-63-28-20-39)67-58(70-61)40-21-29-64-30-22-40)44-16-18-56-52(38-44)50-12-2-4-14-54(50)74(56)48-10-6-8-46(36-48)62-71-59(41-23-31-65-32-24-41)68-60(72-62)42-25-33-66-34-26-42;1-3-10-37-33(8-1)35-25-29(12-14-38(35)46-37)30-13-15-40-36(26-30)34-9-2-4-11-39(34)50(40)32-7-5-6-31(24-32)43-48-41(27-16-20-44-21-17-27)47-42(49-43)28-18-22-45-23-19-28/h1-38H;1-26,46H.
What are the key properties of 3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole?
3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 1592.81 g/mol, XLogP of 23.56, 14 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-3-yl)-9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 157140001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).