1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole

C72H45N9 — CID 89329945

IUPAC1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5cc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccn9)n8)c67)cc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccn9)n8)c67)c5)c43)n2)nc1
InChIInChI=1S/C72H45N9/c1-4-34-64-52(19-1)55-25-13-22-49(70(55)79(64)67-37-16-31-61(76-67)58-28-7-10-40-73-58)46-43-47(50-23-14-26-56-53-20-2-5-35-65(53)80(71(50)56)68-38-17-32-62(77-68)59-29-8-11-41-74-59)45-48(44-46)51-24-15-27-57-54-21-3-6-36-66(54)81(72(51)57)69-39-18-33-63(78-69)60-30-9-12-42-75-60/h1-45H
InChIKeyCIJQBCHFSYIKOG-UHFFFAOYSA-N
MW1036.22 g/mol
LogP17.35
Rot. Bonds9

About 1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole

1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole (PubChem CID 89329945) has the molecular formula C72H45N9 and a molecular weight of 1036.22 g/mol. Its IUPAC name is 1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole
PubChem CID89329945
Molecular FormulaC72H45N9
Molecular Weight1036.22 g/mol
Exact Mass1035.38
IUPAC Name1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5cc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccn9)n8)c67)cc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccn9)n8)c67)c5)c43)n2)nc1
InChIInChI=1S/C72H45N9/c1-4-34-64-52(19-1)55-25-13-22-49(70(55)79(64)67-37-16-31-61(76-67)58-28-7-10-40-73-58)46-43-47(50-23-14-26-56-53-20-2-5-35-65(53)80(71(50)56)68-38-17-32-62(77-68)59-29-8-11-41-74-59)45-48(44-46)51-24-15-27-57-54-21-3-6-36-66(54)81(72(51)57)69-39-18-33-63(78-69)60-30-9-12-42-75-60/h1-45H
InChIKeyCIJQBCHFSYIKOG-UHFFFAOYSA-N
XLogP17.35
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.22
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole?
The IUPAC name of 1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole (CID 89329945) is 1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole?
The canonical SMILES for 1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5cc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccn9)n8)c67)cc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccn9)n8)c67)c5)c43)n2)nc1.
What is the InChIKey of 1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole?
The InChIKey is CIJQBCHFSYIKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45N9/c1-4-34-64-52(19-1)55-25-13-22-49(70(55)79(64)67-37-16-31-61(76-67)58-28-7-10-40-73-58)46-43-47(50-23-14-26-56-53-20-2-5-35-65(53)80(71(50)56)68-38-17-32-62(77-68)59-29-8-11-41-74-59)45-48(44-46)51-24-15-27-57-54-21-3-6-36-66(54)81(72(51)57)69-39-18-33-63(78-69)60-30-9-12-42-75-60/h1-45H.
What are the key properties of 1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole?
1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole has a molecular weight of 1036.22 g/mol, XLogP of 17.35, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[9-(6-pyridin-2-yl-2-pyridinyl)carbazol-1-yl]phenyl]-9-(6-pyridin-2-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 89329945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).