(11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane

About (11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane

(11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane (PubChem CID 177104578) has the molecular formula C48H32BNO2Si and a molecular weight of 693.69 g/mol. Its IUPAC name is (11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane.

Molecular Properties

Compound Name	(11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane
PubChem CID	177104578
Molecular Formula	C48H32BNO2Si
Molecular Weight	693.69 g/mol
Exact Mass	693.23
IUPAC Name	(11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane
SMILES	c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)cc4c2B(O3)c2ccccc2O4)cc1
InChI	InChI=1S/C48H32BNO2Si/c1-4-16-34(17-5-1)53(35-18-6-2-7-19-35,36-20-8-3-9-21-36)37-28-29-45-40(32-37)41-30-33(31-47-48(41)49(52-45)42-24-12-15-27-46(42)51-47)50-43-25-13-10-22-38(43)39-23-11-14-26-44(39)50/h1-32H
InChIKey	BQEHWZKIVXNHTE-UHFFFAOYSA-N
XLogP	7.43
TPSA	23.39 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	53
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.69
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane?

The IUPAC name of (11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane (CID 177104578) is (11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane.

What is the SMILES notation for (11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane?

The canonical SMILES for (11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)cc4c2B(O3)c2ccccc2O4)cc1.

What is the InChIKey of (11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane?

The InChIKey is BQEHWZKIVXNHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32BNO2Si/c1-4-16-34(17-5-1)53(35-18-6-2-7-19-35,36-20-8-3-9-21-36)37-28-29-45-40(32-37)41-30-33(31-47-48(41)49(52-45)42-24-12-15-27-46(42)51-47)50-43-25-13-10-22-38(43)39-23-11-14-26-44(39)50/h1-32H.

What are the key properties of (11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane?

(11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane has a molecular weight of 693.69 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (11-carbazol-9-yl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-16-yl)-triphenylsilane is sourced from PubChem (CID 177104578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).