3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

C48H29N3 — CID 130325680

About 3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (PubChem CID 130325680) has the molecular formula C48H29N3 and a molecular weight of 647.78 g/mol. Its IUPAC name is 3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

Molecular Properties

• Compound Name: 3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
• PubChem CID: 130325680
• Molecular Formula: C48H29N3
• Molecular Weight: 647.78 g/mol
• Exact Mass: 647.24
• IUPAC Name: 3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
• SMILES: c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc(-c5nc6c7c(cccc7n5)-c5ccccc5-6)ccc4c3)c2)cc1
• InChI: InChI=1S/C48H29N3/c1-2-10-30(11-3-1)31-12-8-13-32(26-31)35-23-25-45-42(29-35)39-15-6-7-19-44(39)51(45)37-24-22-33-27-36(21-20-34(33)28-37)48-49-43-18-9-17-40-38-14-4-5-16-41(38)47(50-48)46(40)43/h1-29H
• InChIKey: CUXBBHYEPBBMRK-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.78
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

The IUPAC name of 3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (CID 130325680) is 3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

What is the SMILES notation for 3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

The canonical SMILES for 3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc(-c5nc6c7c(cccc7n5)-c5ccccc5-6)ccc4c3)c2)cc1.

What is the InChIKey of 3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

The InChIKey is CUXBBHYEPBBMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3/c1-2-10-30(11-3-1)31-12-8-13-32(26-31)35-23-25-45-42(29-35)39-15-6-7-19-44(39)51(45)37-24-22-33-27-36(21-20-34(33)28-37)48-49-43-18-9-17-40-38-14-4-5-16-41(38)47(50-48)46(40)43/h1-29H.

What are the key properties of 3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene has a molecular weight of 647.78 g/mol, XLogP of 12.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is sourced from PubChem (CID 130325680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).