12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole

C63H37BN6O2 — CID 153490996

About 12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole

12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole (PubChem CID 153490996) has the molecular formula C63H37BN6O2 and a molecular weight of 920.84 g/mol. Its IUPAC name is 12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole
• PubChem CID: 153490996
• Molecular Formula: C63H37BN6O2
• Molecular Weight: 920.84 g/mol
• Exact Mass: 920.31
• IUPAC Name: 12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6cc7c8c(c6)Oc6ccccc6B8c6ccccc6O7)c54)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C63H37BN6O2/c1-2-17-38(18-3-1)61-65-62(67-63(66-61)70-50-28-11-4-21-42(50)43-22-5-12-29-51(43)70)39-19-16-20-40(35-39)69-49-27-10-6-23-44(49)45-33-34-53-58(60(45)69)46-24-7-13-30-52(46)68(53)41-36-56-59-57(37-41)72-55-32-15-9-26-48(55)64(59)47-25-8-14-31-54(47)71-56/h1-37H
• InChIKey: QPWYHEQUUQMYBB-UHFFFAOYSA-N
• XLogP: 13.22
• TPSA: 71.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.84
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole?

The IUPAC name of 12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole (CID 153490996) is 12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole.

What is the SMILES notation for 12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole?

The canonical SMILES for 12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6cc7c8c(c6)Oc6ccccc6B8c6ccccc6O7)c54)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole?

The InChIKey is QPWYHEQUUQMYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37BN6O2/c1-2-17-38(18-3-1)61-65-62(67-63(66-61)70-50-28-11-4-21-42(50)43-22-5-12-29-51(43)70)39-19-16-20-40(35-39)69-49-27-10-6-23-44(49)45-33-34-53-58(60(45)69)46-24-7-13-30-52(46)68(53)41-36-56-59-57(37-41)72-55-32-15-9-26-48(55)64(59)47-25-8-14-31-54(47)71-56/h1-37H.

What are the key properties of 12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole?

12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole has a molecular weight of 920.84 g/mol, XLogP of 13.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 153490996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).