10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene

C78H45N9O2 — CID 58099588

About 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene

10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene (PubChem CID 58099588) has the molecular formula C78H45N9O2 and a molecular weight of 1140.28 g/mol. Its IUPAC name is 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene.

Molecular Properties

• Compound Name: 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
• PubChem CID: 58099588
• Molecular Formula: C78H45N9O2
• Molecular Weight: 1140.28 g/mol
• Exact Mass: 1139.37
• IUPAC Name: 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
• SMILES: c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7ccnc8c7oc7ccc(-n9c%10cccnc%10c%10ncccc%109)nc78)ccc65)cccc4c3c2)nc1
• InChI: InChI=1S/C78H45N9O2/c1-3-16-53(61-20-7-9-37-79-61)50(14-1)46-26-30-64-58(42-46)59-43-47(51-15-2-4-17-54(51)62-21-8-10-38-80-62)27-31-65(59)85(64)49-29-33-70-60(45-49)56-19-11-23-69(77(56)88-70)86-63-22-6-5-18-55(63)57-44-48(28-32-66(57)86)52-36-41-83-76-75-71(89-78(52)76)34-35-72(84-75)87-67-24-12-39-81-73(67)74-68(87)25-13-40-82-74/h1-45H
• InChIKey: WIJOFYFNNYQPTA-UHFFFAOYSA-N
• XLogP: 19.48
• TPSA: 118.41 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1140.28
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?

The IUPAC name of 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene (CID 58099588) is 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene.

What is the SMILES notation for 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?

The canonical SMILES for 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene is c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7ccnc8c7oc7ccc(-n9c%10cccnc%10c%10ncccc%109)nc78)ccc65)cccc4c3c2)nc1.

What is the InChIKey of 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?

The InChIKey is WIJOFYFNNYQPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H45N9O2/c1-3-16-53(61-20-7-9-37-79-61)50(14-1)46-26-30-64-58(42-46)59-43-47(51-15-2-4-17-54(51)62-21-8-10-38-80-62)27-31-65(59)85(64)49-29-33-70-60(45-49)56-19-11-23-69(77(56)88-70)86-63-22-6-5-18-55(63)57-44-48(28-32-66(57)86)52-36-41-83-76-75-71(89-78(52)76)34-35-72(84-75)87-67-24-12-39-81-73(67)74-68(87)25-13-40-82-74/h1-45H.

What are the key properties of 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?

10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene has a molecular weight of 1140.28 g/mol, XLogP of 19.48, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene is sourced from PubChem (CID 58099588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).