8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene

C55H34N6 — CID 135280157

IUPAC8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c4-n(c4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc5c64)c4ccccc43)n2)cc1
InChIInChI=1S/C55H34N6/c1-4-16-35(17-5-1)53-56-54(36-18-6-2-7-19-36)58-55(57-53)61-48-28-13-12-27-47(48)60-49-33-31-39(41-23-14-24-42(51(41)49)43-25-15-29-50(61)52(43)60)37-30-32-46-44(34-37)40-22-10-11-26-45(40)59(46)38-20-8-3-9-21-38/h1-34H
InChIKeyAPDQFYMZQPVZPY-UHFFFAOYSA-N
MW778.92 g/mol
LogP13.60
Rot. Bonds5

About 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene (PubChem CID 135280157) has the molecular formula C55H34N6 and a molecular weight of 778.92 g/mol. Its IUPAC name is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene.

Molecular Properties

Compound Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene
PubChem CID135280157
Molecular FormulaC55H34N6
Molecular Weight778.92 g/mol
Exact Mass778.28
IUPAC Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c4-n(c4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc5c64)c4ccccc43)n2)cc1
InChIInChI=1S/C55H34N6/c1-4-16-35(17-5-1)53-56-54(36-18-6-2-7-19-36)58-55(57-53)61-48-28-13-12-27-47(48)60-49-33-31-39(41-23-14-24-42(51(41)49)43-25-15-29-50(61)52(43)60)37-30-32-46-44(34-37)40-22-10-11-26-45(40)59(46)38-20-8-3-9-21-38/h1-34H
InChIKeyAPDQFYMZQPVZPY-UHFFFAOYSA-N
XLogP13.60
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.92
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene with MolForge

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Related Compounds

3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 137470533
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
3-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 142577035
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 161068654
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 121401468
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236649

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene?
The IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene (CID 135280157) is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene.
What is the SMILES notation for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene?
The canonical SMILES for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c4-n(c4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc5c64)c4ccccc43)n2)cc1.
What is the InChIKey of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene?
The InChIKey is APDQFYMZQPVZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N6/c1-4-16-35(17-5-1)53-56-54(36-18-6-2-7-19-36)58-55(57-53)61-48-28-13-12-27-47(48)60-49-33-31-39(41-23-14-24-42(51(41)49)43-25-15-29-50(61)52(43)60)37-30-32-46-44(34-37)40-22-10-11-26-45(40)59(46)38-20-8-3-9-21-38/h1-34H.
What are the key properties of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene?
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene has a molecular weight of 778.92 g/mol, XLogP of 13.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene is sourced from PubChem (CID 135280157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).