36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene

C78H50BN3O — CID 176832044

About 36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene

36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene (PubChem CID 176832044) has the molecular formula C78H50BN3O and a molecular weight of 1056.09 g/mol. Its IUPAC name is 36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene.

Molecular Properties

• Compound Name: 36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene
• PubChem CID: 176832044
• Molecular Formula: C78H50BN3O
• Molecular Weight: 1056.09 g/mol
• Exact Mass: 1055.40
• IUPAC Name: 36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene
• SMILES: c1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4B4c5cc(-c6ccccc6)cc6c5N(c5cc(-n7c8ccccc8c8ccccc87)cc3c54)c3c(-c4ccccc4)cccc3-c3ccccc3Oc3ccccc3-6)cc2)cc1
• InChI: InChI=1S/C78H50BN3O/c1-5-22-51(23-6-1)54-40-43-58(44-41-54)80-71-45-42-56(52-24-7-2-8-25-52)47-67(71)79-68-48-57(53-26-9-3-10-27-53)46-66-64-33-16-20-39-75(64)83-74-38-19-15-32-63(74)65-35-21-34-60(55-28-11-4-12-29-55)77(65)82(78(66)68)73-50-59(49-72(80)76(73)79)81-69-36-17-13-30-61(69)62-31-14-18-37-70(62)81/h1-50H
• InChIKey: AYADBSDSRDVJSP-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 20.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1056.09
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene?

The IUPAC name of 36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene (CID 176832044) is 36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene.

What is the SMILES notation for 36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene?

The canonical SMILES for 36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene is c1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4B4c5cc(-c6ccccc6)cc6c5N(c5cc(-n7c8ccccc8c8ccccc87)cc3c54)c3c(-c4ccccc4)cccc3-c3ccccc3Oc3ccccc3-6)cc2)cc1.

What is the InChIKey of 36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene?

The InChIKey is AYADBSDSRDVJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50BN3O/c1-5-22-51(23-6-1)54-40-43-58(44-41-54)80-71-45-42-56(52-24-7-2-8-25-52)47-67(71)79-68-48-57(53-26-9-3-10-27-53)46-66-64-33-16-20-39-75(64)83-74-38-19-15-32-63(74)65-35-21-34-60(55-28-11-4-12-29-55)77(65)82(78(66)68)73-50-59(49-72(80)76(73)79)81-69-36-17-13-30-61(69)62-31-14-18-37-70(62)81/h1-50H.

What are the key properties of 36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene?

36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene has a molecular weight of 1056.09 g/mol, XLogP of 18.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 36-carbazol-9-yl-3,23,29-triphenyl-33-(4-phenylphenyl)-14-oxa-1,33-diaza-26-boranonacyclo[19.17.1.126,34.02,7.08,13.015,20.025,39.027,32.038,40]tetraconta-2,4,6,8,10,12,15,17,19,21(39),22,24,27(32),28,30,34(40),35,37-octadecaene is sourced from PubChem (CID 176832044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).