4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene

About 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene

4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene (PubChem CID 155605565) has the molecular formula C55H37BN2 and a molecular weight of 736.73 g/mol. Its IUPAC name is 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name	4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
PubChem CID	155605565
Molecular Formula	C55H37BN2
Molecular Weight	736.73 g/mol
Exact Mass	736.30
IUPAC Name	4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
SMILES	c1ccc(-c2ccc(B3c4ccc(-n5c6ccccc6c6ccccc65)cc4N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5cccc3c54)cc2)cc1
InChI	InChI=1S/C55H37BN2/c1-4-17-38(18-5-1)39-31-33-42(34-32-39)56-48-36-35-43(57-50-28-13-10-23-44(50)45-24-11-14-29-51(45)57)37-53(48)58-52-30-15-12-25-46(52)55(40-19-6-2-7-20-40,41-21-8-3-9-22-41)47-26-16-27-49(56)54(47)58/h1-37H
InChIKey	NZJOMOYNBGEHAP-UHFFFAOYSA-N
XLogP	11.45
TPSA	8.17 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	5
Heavy Atoms	58
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.73
LogP ≤ 5	11.45
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 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

The IUPAC name of 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene (CID 155605565) is 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene.

What is the SMILES notation for 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

The canonical SMILES for 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene is c1ccc(-c2ccc(B3c4ccc(-n5c6ccccc6c6ccccc65)cc4N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5cccc3c54)cc2)cc1.

What is the InChIKey of 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

The InChIKey is NZJOMOYNBGEHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37BN2/c1-4-17-38(18-5-1)39-31-33-42(34-32-39)56-48-36-35-43(57-50-28-13-10-23-44(50)45-24-11-14-29-51(45)57)37-53(48)58-52-30-15-12-25-46(52)55(40-19-6-2-7-20-40,41-21-8-3-9-22-41)47-26-16-27-49(56)54(47)58/h1-37H.

What are the key properties of 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene has a molecular weight of 736.73 g/mol, XLogP of 11.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 155605565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).