5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole

C115H76N12 — CID 159364715

About 5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole

5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole (PubChem CID 159364715) has the molecular formula C115H76N12 and a molecular weight of 1625.96 g/mol. Its IUPAC name is 5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole
• PubChem CID: 159364715
• Molecular Formula: C115H76N12
• Molecular Weight: 1625.96 g/mol
• Exact Mass: 1624.63
• IUPAC Name: 5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole
• SMILES: C1=Cc2ccccc2C2CC=C(c3cccc(-c4cccc(-n5c6ccccc6c6ncccc65)c4)n3)C=C12.c1cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2)nc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2)c1.c1cc(-c2cccc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C40H26N4.C39H25N5.C36H25N3/c1-4-16-37-31(11-1)32-12-2-5-17-38(32)44(37)30-10-7-9-28(25-30)36-15-8-14-35(42-36)27-19-21-29(22-20-27)43-39-18-6-3-13-33(39)34-26-41-24-23-40(34)43;1-3-10-36-30(6-1)32-24-40-22-20-38(32)43(36)28-16-12-26(13-17-28)34-8-5-9-35(42-34)27-14-18-29(19-15-27)44-37-11-4-2-7-31(37)33-25-41-23-21-39(33)44;1-2-11-29-24(8-1)17-18-25-22-27(19-20-30(25)29)33-14-6-13-32(38-33)26-9-5-10-28(23-26)39-34-15-4-3-12-31(34)36-35(39)16-7-21-37-36/h1-26H;1-25H;1-19,21-23,30H,20H2
• InChIKey: LIZCEWWZVQGIMQ-UHFFFAOYSA-N
• XLogP: 28.17
• TPSA: 114.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1625.96
LogP ≤ 5	28.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

The IUPAC name of 5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole (CID 159364715) is 5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

The canonical SMILES for 5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole is C1=Cc2ccccc2C2CC=C(c3cccc(-c4cccc(-n5c6ccccc6c6ncccc65)c4)n3)C=C12.c1cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2)nc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2)c1.c1cc(-c2cccc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)n2)cc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

The InChIKey is LIZCEWWZVQGIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4.C39H25N5.C36H25N3/c1-4-16-37-31(11-1)32-12-2-5-17-38(32)44(37)30-10-7-9-28(25-30)36-15-8-14-35(42-36)27-19-21-29(22-20-27)43-39-18-6-3-13-33(39)34-26-41-24-23-40(34)43;1-3-10-36-30(6-1)32-24-40-22-20-38(32)43(36)28-16-12-26(13-17-28)34-8-5-9-35(42-34)27-14-18-29(19-15-27)44-37-11-4-2-7-31(37)33-25-41-23-21-39(33)44;1-2-11-29-24(8-1)17-18-25-22-27(19-20-30(25)29)33-14-6-13-32(38-33)26-9-5-10-28(23-26)39-34-15-4-3-12-31(34)36-35(39)16-7-21-37-36/h1-26H;1-25H;1-19,21-23,30H,20H2.

What are the key properties of 5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 1625.96 g/mol, XLogP of 28.17, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-(4,4a-dihydrophenanthren-2-yl)-2-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole;5-[4-[6-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 159364715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).