10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

C116H71N9 — CID 161392805

About 10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine

10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 161392805) has the molecular formula C116H71N9 and a molecular weight of 1590.91 g/mol. Its IUPAC name is 10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 161392805
• Molecular Formula: C116H71N9
• Molecular Weight: 1590.91 g/mol
• Exact Mass: 1589.58
• IUPAC Name: 10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
• SMILES: c1cc(-n2c3ccccc3c3ccccc32)c2cccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)c2c1.c1ccc2c(c1)c1cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)ccc1c1nccnc21.c1ccc2c(c1)c1cc(-c3ccc4ccc(-n5c6ccccc6c6ccccc65)cc4c3)ccc1c1nccnc21
• InChI: InChI=1S/C40H25N3.2C38H23N3/c1-2-10-34-31(7-1)36-25-29(19-22-35(36)40-39(34)41-23-24-42-40)28-15-13-26(14-16-28)27-17-20-30(21-18-27)43-37-11-5-3-8-32(37)33-9-4-6-12-38(33)43;1-2-12-31-27(9-1)33-23-24(19-20-32(33)38-37(31)39-21-22-40-38)25-13-7-15-28-26(25)14-8-18-36(28)41-34-16-5-3-10-29(34)30-11-4-6-17-35(30)41;1-2-10-32-29(7-1)34-23-26(16-18-33(34)38-37(32)39-19-20-40-38)25-14-13-24-15-17-28(22-27(24)21-25)41-35-11-5-3-8-30(35)31-9-4-6-12-36(31)41/h1-25H;2*1-23H
• InChIKey: VTFDAGJQRGGNPE-UHFFFAOYSA-N
• XLogP: 30.07
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1590.91
LogP ≤ 5	30.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine (CID 161392805) is 10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is c1cc(-n2c3ccccc3c3ccccc32)c2cccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)c2c1.c1ccc2c(c1)c1cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)ccc1c1nccnc21.c1ccc2c(c1)c1cc(-c3ccc4ccc(-n5c6ccccc6c6ccccc65)cc4c3)ccc1c1nccnc21.

What is the InChIKey of 10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is VTFDAGJQRGGNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3.2C38H23N3/c1-2-10-34-31(7-1)36-25-29(19-22-35(36)40-39(34)41-23-24-42-40)28-15-13-26(14-16-28)27-17-20-30(21-18-27)43-37-11-5-3-8-32(37)33-9-4-6-12-38(33)43;1-2-12-31-27(9-1)33-23-24(19-20-32(33)38-37(31)39-21-22-40-38)25-13-7-15-28-26(25)14-8-18-36(28)41-34-16-5-3-10-29(34)30-11-4-6-17-35(30)41;1-2-10-32-29(7-1)34-23-26(16-18-33(34)38-37(32)39-19-20-40-38)25-14-13-24-15-17-28(22-27(24)21-25)41-35-11-5-3-8-30(35)31-9-4-6-12-36(31)41/h1-25H;2*1-23H.

What are the key properties of 10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine?

10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1590.91 g/mol, XLogP of 30.07, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(5-carbazol-9-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;10-(7-carbazol-9-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;10-[4-(4-carbazol-9-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 161392805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).