9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole

C51H30N4S — CID 166845570

IUPAC9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cc4ccc5ccccc5c4c4sc5c6ccccc6ccc5c34)n2)cc1
InChIInChI=1S/C51H30N4S/c1-3-15-33(16-4-1)49-52-50(35-26-28-44-41(30-35)39-21-11-12-22-43(39)55(44)36-17-5-2-6-18-36)54-51(53-49)42-29-34-24-23-31-13-7-9-19-37(31)45(34)48-46(42)40-27-25-32-14-8-10-20-38(32)47(40)56-48/h1-30H
InChIKeyLJYPARTVZXUWBT-UHFFFAOYSA-N
MW730.90 g/mol
LogP13.80
Rot. Bonds4

About 9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole

9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 166845570) has the molecular formula C51H30N4S and a molecular weight of 730.90 g/mol. Its IUPAC name is 9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID166845570
Molecular FormulaC51H30N4S
Molecular Weight730.90 g/mol
Exact Mass730.22
IUPAC Name9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cc4ccc5ccccc5c4c4sc5c6ccccc6ccc5c34)n2)cc1
InChIInChI=1S/C51H30N4S/c1-3-15-33(16-4-1)49-52-50(35-26-28-44-41(30-35)39-21-11-12-22-43(39)55(44)36-17-5-2-6-18-36)54-51(53-49)42-29-34-24-23-31-13-7-9-19-37(31)45(34)48-46(42)40-27-25-32-14-8-10-20-38(32)47(40)56-48/h1-30H
InChIKeyLJYPARTVZXUWBT-UHFFFAOYSA-N
XLogP13.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.90
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole with MolForge

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Related Compounds

2-naphthalen-2-yl-4-(4-phenylphenyl)-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazine
CID 166845524
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaen-21-yl)-1,3,5-triazin-2-yl]carbazole
CID 166845230
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 118133204
12-[3-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118449206
7-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 163778006
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910
12-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 154968507
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 130351139
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
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
9-phenyl-3-[4-phenyl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 164736771

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole (CID 166845570) is 9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cc4ccc5ccccc5c4c4sc5c6ccccc6ccc5c34)n2)cc1.
What is the InChIKey of 9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is LJYPARTVZXUWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S/c1-3-15-33(16-4-1)49-52-50(35-26-28-44-41(30-35)39-21-11-12-22-43(39)55(44)36-17-5-2-6-18-36)54-51(53-49)42-29-34-24-23-31-13-7-9-19-37(31)45(34)48-46(42)40-27-25-32-14-8-10-20-38(32)47(40)56-48/h1-30H.
What are the key properties of 9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole?
9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 730.90 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[4-phenyl-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166845570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).