5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

C66H42BN3 — CID 158215821

IUPAC5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(N2c3ccccc3B3c4ccc(-n5c6ccccc6c6ccccc65)cc4N(c4ccccc4)c4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc2c43)cc1
InChIInChI=1S/C66H42BN3/c1-3-21-47(22-4-1)68-60-34-18-15-31-56(60)67-57-38-37-49(70-58-32-16-13-25-50(58)51-26-14-17-33-59(51)70)42-61(57)69(48-23-5-2-6-24-48)63-41-46(40-62(68)66(63)67)65-54-29-11-9-27-52(54)64(53-28-10-12-30-55(53)65)45-36-35-43-19-7-8-20-44(43)39-45/h1-42H
InChIKeyRVUOXEIMVVKBDJ-UHFFFAOYSA-N
MW887.90 g/mol
LogP15.66
Rot. Bonds5

About 5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (PubChem CID 158215821) has the molecular formula C66H42BN3 and a molecular weight of 887.90 g/mol. Its IUPAC name is 5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
PubChem CID158215821
Molecular FormulaC66H42BN3
Molecular Weight887.90 g/mol
Exact Mass887.35
IUPAC Name5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(N2c3ccccc3B3c4ccc(-n5c6ccccc6c6ccccc65)cc4N(c4ccccc4)c4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc2c43)cc1
InChIInChI=1S/C66H42BN3/c1-3-21-47(22-4-1)68-60-34-18-15-31-56(60)67-57-38-37-49(70-58-32-16-13-25-50(58)51-26-14-17-33-59(51)70)42-61(57)69(48-23-5-2-6-24-48)63-41-46(40-62(68)66(63)67)65-54-29-11-9-27-52(54)64(53-28-10-12-30-55(53)65)45-36-35-43-19-7-8-20-44(43)39-45/h1-42H
InChIKeyRVUOXEIMVVKBDJ-UHFFFAOYSA-N
XLogP15.66
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.90
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

5,17-di(carbazol-9-yl)-8,14-diphenyl-11-(2,4,6-trimethylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 166005780
4-carbazol-9-yl-8,14-diphenyl-11-(2,4,6-trimethylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 166005853
27-naphthalen-2-yl-10,14-diphenyl-10,14-diaza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22,24,26,28,30,32,34(36)-hexadecaene
CID 176589782
5,11,17-tri(carbazol-9-yl)-8,14-bis[4-(2,6-diphenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 177074818
5,17-di(carbazol-9-yl)-8,14-bis(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 155702300
17,29-di(carbazol-9-yl)-14,32-diphenyl-14,20,26,32-tetraza-1,7,39-triboratridecacyclo[23.19.1.12,6.17,15.126,40.127,31.08,13.021,45.033,38.019,48.020,49.039,47.044,46]nonatetraconta-2,4,6(49),8,10,12,15(48),16,18,21(45),22,24,27,29,31(47),33,35,37,40(46),41,43-henicosaene
CID 169037922
11-carbazol-9-yl-4,18-dideuterio-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 164936357
9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 59220884
[3-[11-carbazol-9-yl-5-phenyl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane
CID 168783969
[3-[11-carbazol-9-yl-17-phenyl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane
CID 168783903
17-(3,6-dimethylcarbazol-9-yl)-N,N-bis(4-methylphenyl)-14-naphthalen-2-yl-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine
CID 158347462
11-(9-phenylcarbazol-1-yl)-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 164936300

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (CID 158215821) is 5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is c1ccc(N2c3ccccc3B3c4ccc(-n5c6ccccc6c6ccccc65)cc4N(c4ccccc4)c4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc2c43)cc1.
What is the InChIKey of 5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The InChIKey is RVUOXEIMVVKBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42BN3/c1-3-21-47(22-4-1)68-60-34-18-15-31-56(60)67-57-38-37-49(70-58-32-16-13-25-50(58)51-26-14-17-33-59(51)70)42-61(57)69(48-23-5-2-6-24-48)63-41-46(40-62(68)66(63)67)65-54-29-11-9-27-52(54)64(53-28-10-12-30-55(53)65)45-36-35-43-19-7-8-20-44(43)39-45/h1-42H.
What are the key properties of 5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene has a molecular weight of 887.90 g/mol, XLogP of 15.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-11-(10-naphthalen-2-ylanthracen-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 158215821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).