3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole

C85H52B2ClN3O4 — CID 157215051

About 3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole

3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole (PubChem CID 157215051) has the molecular formula C85H52B2ClN3O4 and a molecular weight of 1236.45 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole
• PubChem CID: 157215051
• Molecular Formula: C85H52B2ClN3O4
• Molecular Weight: 1236.45 g/mol
• Exact Mass: 1235.38
• IUPAC Name: 3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole
• SMILES: Clc1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.c1ccc2c(c1)Cc1ccc(-n3c4ccccc4c4ccccc43)cc1-2.c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc3c1B2c1ccccc1O3
• InChI: InChI=1S/C42H25BN2O2.C25H17N.C18H10BClO2/c1-6-16-34-28(11-1)29-12-2-7-17-35(29)44(34)26-21-22-37-31(23-26)30-13-3-8-18-36(30)45(37)27-24-40-42-41(25-27)47-39-20-10-5-15-33(39)43(42)32-14-4-9-19-38(32)46-40;1-2-8-20-17(7-1)15-18-13-14-19(16-23(18)20)26-24-11-5-3-9-21(24)22-10-4-6-12-25(22)26;20-11-9-16-18-17(10-11)22-15-8-4-2-6-13(15)19(18)12-5-1-3-7-14(12)21-16/h1-25H;1-14,16H,15H2;1-10H
• InChIKey: ASHXZFLJFMAKCI-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 51.71 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1236.45
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole?

The IUPAC name of 3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole (CID 157215051) is 3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole.

What is the SMILES notation for 3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole?

The canonical SMILES for 3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole is Clc1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.c1ccc2c(c1)Cc1ccc(-n3c4ccccc4c4ccccc43)cc1-2.c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc3c1B2c1ccccc1O3.

What is the InChIKey of 3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole?

The InChIKey is ASHXZFLJFMAKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25BN2O2.C25H17N.C18H10BClO2/c1-6-16-34-28(11-1)29-12-2-7-17-35(29)44(34)26-21-22-37-31(23-26)30-13-3-8-18-36(30)45(37)27-24-40-42-41(25-27)47-39-20-10-5-15-33(39)43(42)32-14-4-9-19-38(32)46-40;1-2-8-20-17(7-1)15-18-13-14-19(16-23(18)20)26-24-11-5-3-9-21(24)22-10-4-6-12-25(22)26;20-11-9-16-18-17(10-11)22-15-8-4-2-6-13(15)19(18)12-5-1-3-7-14(12)21-16/h1-25H;1-14,16H,15H2;1-10H.

What are the key properties of 3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole?

3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole has a molecular weight of 1236.45 g/mol, XLogP of 18.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-(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)carbazole;11-chloro-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-nonaene;9-(9H-fluoren-3-yl)carbazole is sourced from PubChem (CID 157215051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).