6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole

About 6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole

6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole (PubChem CID 155605761) has the molecular formula C102H66B6N2 and a molecular weight of 1384.54 g/mol. Its IUPAC name is 6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name	6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole
PubChem CID	155605761
Molecular Formula	C102H66B6N2
Molecular Weight	1384.54 g/mol
Exact Mass	1384.58
IUPAC Name	6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole
SMILES	c1ccc(B2c3ccccc3B3c4ccccc4B(c4ccccc4)c4cc(-c5ccc(-c6c7c8ccccc8n(-c8ccccc8)c7c(-c7ccc(-c8cc9c%10c(c8)B(c8ccccc8)c8ccccc8B%10c8ccccc8B9c8ccccc8)cc7)c7c8ccccc8n(-c8ccccc8)c67)cc5)cc2c43)cc1
InChI	InChI=1S/C102H66B6N2/c1-7-31-73(32-8-1)103-81-45-21-25-49-85(81)107-86-50-26-22-46-82(86)104(74-33-9-2-10-34-74)90-64-71(63-89(103)99(90)107)67-55-59-69(60-56-67)95-97-79-43-19-29-53-93(79)110(78-41-17-6-18-42-78)102(97)96(98-80-44-20-30-54-94(80)109(101(95)98)77-39-15-5-16-40-77)70-61-57-68(58-62-70)72-65-91-100-92(66-72)106(76-37-13-4-14-38-76)84-48-24-28-52-88(84)108(100)87-51-27-23-47-83(87)105(91)75-35-11-3-12-36-75/h1-66H
InChIKey	SGCYLLCVFYIHBI-UHFFFAOYSA-N
XLogP	10.90
TPSA	9.86 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	10
Heavy Atoms	110
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1384.54
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole?

The IUPAC name of 6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole (CID 155605761) is 6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole.

What is the SMILES notation for 6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole?

The canonical SMILES for 6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole is c1ccc(B2c3ccccc3B3c4ccccc4B(c4ccccc4)c4cc(-c5ccc(-c6c7c8ccccc8n(-c8ccccc8)c7c(-c7ccc(-c8cc9c%10c(c8)B(c8ccccc8)c8ccccc8B%10c8ccccc8B9c8ccccc8)cc7)c7c8ccccc8n(-c8ccccc8)c67)cc5)cc2c43)cc1.

What is the InChIKey of 6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole?

The InChIKey is SGCYLLCVFYIHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H66B6N2/c1-7-31-73(32-8-1)103-81-45-21-25-49-85(81)107-86-50-26-22-46-82(86)104(74-33-9-2-10-34-74)90-64-71(63-89(103)99(90)107)67-55-59-69(60-56-67)95-97-79-43-19-29-53-93(79)110(78-41-17-6-18-42-78)102(97)96(98-80-44-20-30-54-94(80)109(101(95)98)77-39-15-5-16-40-77)70-61-57-68(58-62-70)72-65-91-100-92(66-72)106(76-37-13-4-14-38-76)84-48-24-28-52-88(84)108(100)87-51-27-23-47-83(87)105(91)75-35-11-3-12-36-75/h1-66H.

What are the key properties of 6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole?

6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole has a molecular weight of 1384.54 g/mol, XLogP of 10.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6,12-bis[4-(8,14-diphenyl-1,8,14-triborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-5,11-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 155605761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).