9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene

C63H40N6 — CID 164745050

IUPAC9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)n(-c6ccccc6)c6nc8c9ccccc9n(-c9ccccc9)c8n76)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C63H40N6/c1-5-17-45(18-6-1)65-54-27-15-13-25-49(54)51-37-41(29-33-56(51)65)42-30-34-57-52(38-42)53-39-43(31-35-58(53)66(57)46-19-7-2-8-20-46)44-32-36-59-60(40-44)68(48-23-11-4-12-24-48)63-64-61-50-26-14-16-28-55(50)67(62(61)69(59)63)47-21-9-3-10-22-47/h1-40H
InChIKeyGFQMIWDAXICCAT-UHFFFAOYSA-N
MW881.06 g/mol
LogP15.90
Rot. Bonds6

About 9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene

9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene (PubChem CID 164745050) has the molecular formula C63H40N6 and a molecular weight of 881.06 g/mol. Its IUPAC name is 9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene.

Molecular Properties

Compound Name9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene
PubChem CID164745050
Molecular FormulaC63H40N6
Molecular Weight881.06 g/mol
Exact Mass880.33
IUPAC Name9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)n(-c6ccccc6)c6nc8c9ccccc9n(-c9ccccc9)c8n76)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C63H40N6/c1-5-17-45(18-6-1)65-54-27-15-13-25-49(54)51-37-41(29-33-56(51)65)42-30-34-57-52(38-42)53-39-43(31-35-58(53)66(57)46-19-7-2-8-20-46)44-32-36-59-60(40-44)68(48-23-11-4-12-24-48)63-64-61-50-26-14-16-28-55(50)67(62(61)69(59)63)47-21-9-3-10-22-47/h1-40H
InChIKeyGFQMIWDAXICCAT-UHFFFAOYSA-N
XLogP15.90
TPSA37.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.06
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene with MolForge

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Related Compounds

9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
CID 154646612
9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646952
13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646539
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene?
The IUPAC name of 9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene (CID 164745050) is 9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene.
What is the SMILES notation for 9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene?
The canonical SMILES for 9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)n(-c6ccccc6)c6nc8c9ccccc9n(-c9ccccc9)c8n76)ccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene?
The InChIKey is GFQMIWDAXICCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N6/c1-5-17-45(18-6-1)65-54-27-15-13-25-49(54)51-37-41(29-33-56(51)65)42-30-34-57-52(38-42)53-39-43(31-35-58(53)66(57)46-19-7-2-8-20-46)44-32-36-59-60(40-44)68(48-23-11-4-12-24-48)63-64-61-50-26-14-16-28-55(50)67(62(61)69(59)63)47-21-9-3-10-22-47/h1-40H.
What are the key properties of 9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene?
9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene has a molecular weight of 881.06 g/mol, XLogP of 15.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,19-diphenyl-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,10,13,15,17-octaene is sourced from PubChem (CID 164745050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).