3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine

C116H72N8 — CID 159743205

About 3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine

3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 159743205) has the molecular formula C116H72N8 and a molecular weight of 1577.91 g/mol. Its IUPAC name is 3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 159743205
• Molecular Formula: C116H72N8
• Molecular Weight: 1577.91 g/mol
• Exact Mass: 1576.59
• IUPAC Name: 3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)cc1
• InChI: InChI=1S/2C58H36N4/c1-3-14-37(15-4-1)38-26-29-55-50(33-38)51-35-40(28-31-56(51)61(55)42-17-5-2-6-18-42)39-27-30-54-49(34-39)46-22-11-12-25-53(46)62(54)43-19-13-16-41(32-43)52-36-59-57-47-23-9-7-20-44(47)45-21-8-10-24-48(45)58(57)60-52;1-3-14-37(15-4-1)38-26-29-55-50(33-38)51-35-40(39-27-30-54-49(34-39)46-22-11-12-25-53(46)61(54)42-17-5-2-6-18-42)28-31-56(51)62(55)43-19-13-16-41(32-43)52-36-59-57-47-23-9-7-20-44(47)45-21-8-10-24-48(45)58(57)60-52/h2*1-36H
• InChIKey: NCSIBDNXBXFAFE-UHFFFAOYSA-N
• XLogP: 30.26
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1577.91
LogP ≤ 5	30.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 159743205) is 3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)cc1.

What is the InChIKey of 3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is NCSIBDNXBXFAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H36N4/c1-3-14-37(15-4-1)38-26-29-55-50(33-38)51-35-40(28-31-56(51)61(55)42-17-5-2-6-18-42)39-27-30-54-49(34-39)46-22-11-12-25-53(46)62(54)43-19-13-16-41(32-43)52-36-59-57-47-23-9-7-20-44(47)45-21-8-10-24-48(45)58(57)60-52;1-3-14-37(15-4-1)38-26-29-55-50(33-38)51-35-40(39-27-30-54-49(34-39)46-22-11-12-25-53(46)61(54)42-17-5-2-6-18-42)28-31-56(51)62(55)43-19-13-16-41(32-43)52-36-59-57-47-23-9-7-20-44(47)45-21-8-10-24-48(45)58(57)60-52/h2*1-36H.

What are the key properties of 3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine?

3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1577.91 g/mol, XLogP of 30.26, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 159743205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).