6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene

C55H34N2O — CID 170252814

About 6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene

6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene (PubChem CID 170252814) has the molecular formula C55H34N2O and a molecular weight of 738.89 g/mol. Its IUPAC name is 6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene.

Molecular Properties

• Compound Name: 6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene
• PubChem CID: 170252814
• Molecular Formula: C55H34N2O
• Molecular Weight: 738.89 g/mol
• Exact Mass: 738.27
• IUPAC Name: 6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene
• SMILES: c1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccc7c5n6-c5cccc6c5-c5c(cccc5-7)CO6)ccc43)c2)cc1
• InChI: InChI=1S/C55H34N2O/c1-2-12-34(13-3-1)40-17-4-5-18-41(40)37-14-8-16-39(30-37)56-48-23-7-6-19-42(48)46-31-35(26-28-49(46)56)36-27-29-50-47(32-36)45-22-10-21-44-43-20-9-15-38-33-58-52-25-11-24-51(54(52)53(38)43)57(50)55(44)45/h1-32H,33H2
• InChIKey: HZXCTFMXAQFTGX-UHFFFAOYSA-N
• XLogP: 14.42
• TPSA: 19.09 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.89
LogP ≤ 5	14.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene?

The IUPAC name of 6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene (CID 170252814) is 6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene.

What is the SMILES notation for 6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene?

The canonical SMILES for 6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene is c1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccc7c5n6-c5cccc6c5-c5c(cccc5-7)CO6)ccc43)c2)cc1.

What is the InChIKey of 6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene?

The InChIKey is HZXCTFMXAQFTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O/c1-2-12-34(13-3-1)40-17-4-5-18-41(40)37-14-8-16-39(30-37)56-48-23-7-6-19-42(48)46-31-35(26-28-49(46)56)36-27-29-50-47(32-36)45-22-10-21-44-43-20-9-15-38-33-58-52-25-11-24-51(54(52)53(38)43)57(50)55(44)45/h1-32H,33H2.

What are the key properties of 6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene?

6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene has a molecular weight of 738.89 g/mol, XLogP of 14.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene is sourced from PubChem (CID 170252814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).