15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C42H26N4 — CID 170372176

IUPAC15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5ccccc5c43)c3c(n2)c2cc4ccccc4cc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H26N4/c1-3-14-28(15-4-1)41-43-38-35-25-29-16-7-8-17-30(29)26-37(35)45(31-18-5-2-6-19-31)40(38)42(44-41)46-36-22-12-11-21-33(36)34-24-23-27-13-9-10-20-32(27)39(34)46/h1-26H
InChIKeyWMQXSEVFIJJTCA-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.64
Rot. Bonds3

About 15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 170372176) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID170372176
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5ccccc5c43)c3c(n2)c2cc4ccccc4cc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H26N4/c1-3-14-28(15-4-1)41-43-38-35-25-29-16-7-8-17-30(29)26-37(35)45(31-18-5-2-6-19-31)40(38)42(44-41)46-36-22-12-11-21-33(36)34-24-23-27-13-9-10-20-32(27)39(34)46/h1-26H
InChIKeyWMQXSEVFIJJTCA-UHFFFAOYSA-N
XLogP10.64
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene with MolForge

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Related Compounds

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2-benzo[a]carbazol-11-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[2-(4-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-(2-phenylquinazolin-4-yl)benzo[b]carbazole
CID 157060055
11-[4-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
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12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166915654
11-phenyl-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159128944
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
3-carbazol-9-yl-6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;11-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole;5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]benzo[b]carbazole;7-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole;5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole;methane
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CID 155477512
28-phenyl-23-[22-phenyl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-6-yl]-14-[4-(4-phenylquinazolin-2-yl)phenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21(26),22,24-tridecaene
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Frequently Asked Questions

What is the IUPAC name of 15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 170372176) is 15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is c1ccc(-c2nc(-n3c4ccccc4c4ccc5ccccc5c43)c3c(n2)c2cc4ccccc4cc2n3-c2ccccc2)cc1.
What is the InChIKey of 15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is WMQXSEVFIJJTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c1-3-14-28(15-4-1)41-43-38-35-25-29-16-7-8-17-30(29)26-37(35)45(31-18-5-2-6-19-31)40(38)42(44-41)46-36-22-12-11-21-33(36)34-24-23-27-13-9-10-20-32(27)39(34)46/h1-26H.
What are the key properties of 15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 586.70 g/mol, XLogP of 10.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-benzo[a]carbazol-11-yl-13,17-diphenyl-12,14,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 170372176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).