6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene

C55H38N2 — CID 121355780

About 6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene

6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene (PubChem CID 121355780) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene.

Molecular Properties

• Compound Name: 6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene
• PubChem CID: 121355780
• Molecular Formula: C55H38N2
• Molecular Weight: 726.92 g/mol
• Exact Mass: 726.30
• IUPAC Name: 6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene
• SMILES: CC1CC=CC2=C1c1ccccc1-n1c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)cc4)cc2c31
• InChI: InChI=1S/C55H38N2/c1-35-13-11-21-45-49-34-41(33-48-44-19-6-9-23-51(44)57(55(48)49)52-24-10-7-20-46(52)54(35)45)38-27-25-37(26-28-38)40-29-30-53-47(32-40)43-18-5-8-22-50(43)56(53)42-17-12-16-39(31-42)36-14-3-2-4-15-36/h2-12,14-35H,13H2,1H3
• InChIKey: STKVSFJNNIIXQY-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.92
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene?

The IUPAC name of 6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene (CID 121355780) is 6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene.

What is the SMILES notation for 6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene?

The canonical SMILES for 6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene is CC1CC=CC2=C1c1ccccc1-n1c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)cc4)cc2c31.

What is the InChIKey of 6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene?

The InChIKey is STKVSFJNNIIXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-35-13-11-21-45-49-34-41(33-48-44-19-6-9-23-51(44)57(55(48)49)52-24-10-7-20-46(52)54(35)45)38-27-25-37(26-28-38)40-29-30-53-47(32-40)43-18-5-8-22-50(43)56(53)42-17-12-16-39(31-42)36-14-3-2-4-15-36/h2-12,14-35H,13H2,1H3.

What are the key properties of 6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene?

6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene has a molecular weight of 726.92 g/mol, XLogP of 14.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene is sourced from PubChem (CID 121355780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).