6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine

C142H87N19S3 — CID 167638823

IUPAC6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5nsnc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5nsnc56)cc4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7c6ccc6nsnc67)cc5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C52H31N7S.C48H28N6S.C42H28N6S/c1-2-11-35(12-3-1)50-54-51(56-52(55-50)37-13-10-14-38(31-37)59-45-19-8-5-15-39(45)40-16-6-9-20-46(40)59)36-27-23-33(24-28-36)32-21-25-34(26-22-32)48-42-29-30-44-49(58-60-57-44)47(42)41-17-4-7-18-43(41)53-48;1-3-9-35-27-37(23-17-29(35)7-1)47-50-46(51-48(52-47)38-24-18-30-8-2-4-10-36(30)28-38)34-21-15-32(16-22-34)31-13-19-33(20-14-31)44-40-25-26-42-45(54-55-53-42)43(40)39-11-5-6-12-41(39)49-44;1-25-7-11-30(12-8-25)40-44-41(31-13-9-26(2)10-14-31)46-42(45-40)32-21-17-28(18-22-32)27-15-19-29(20-16-27)38-34-23-24-36-39(48-49-47-36)37(34)33-5-3-4-6-35(33)43-38/h1-31H;1-28H;3-24H,1-2H3
InChIKeyOWIYSTQAHABEIB-UHFFFAOYSA-N
MW2155.59 g/mol
LogP35.76
Rot. Bonds16

About 6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine

6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine (PubChem CID 167638823) has the molecular formula C142H87N19S3 and a molecular weight of 2155.59 g/mol. Its IUPAC name is 6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine.

Molecular Properties

Compound Name6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
PubChem CID167638823
Molecular FormulaC142H87N19S3
Molecular Weight2155.59 g/mol
Exact Mass2153.66
IUPAC Name6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5nsnc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5nsnc56)cc4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7c6ccc6nsnc67)cc5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C52H31N7S.C48H28N6S.C42H28N6S/c1-2-11-35(12-3-1)50-54-51(56-52(55-50)37-13-10-14-38(31-37)59-45-19-8-5-15-39(45)40-16-6-9-20-46(40)59)36-27-23-33(24-28-36)32-21-25-34(26-22-32)48-42-29-30-44-49(58-60-57-44)47(42)41-17-4-7-18-43(41)53-48;1-3-9-35-27-37(23-17-29(35)7-1)47-50-46(51-48(52-47)38-24-18-30-8-2-4-10-36(30)28-38)34-21-15-32(16-22-34)31-13-19-33(20-14-31)44-40-25-26-42-45(54-55-53-42)43(40)39-11-5-6-12-41(39)49-44;1-25-7-11-30(12-8-25)40-44-41(31-13-9-26(2)10-14-31)46-42(45-40)32-21-17-28(18-22-32)27-15-19-29(20-16-27)38-34-23-24-36-39(48-49-47-36)37(34)33-5-3-4-6-35(33)43-38/h1-31H;1-28H;3-24H,1-2H3
InChIKeyOWIYSTQAHABEIB-UHFFFAOYSA-N
XLogP35.76
TPSA236.95 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002155.59
LogP ≤ 535.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine with MolForge

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Related Compounds

9-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165382902
10-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine;10-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine;10-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-phenylphenanthridine
CID 161158065
10-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine;10-[4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine;10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine;10-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylphenanthridine
CID 159416321
4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383238
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165382951
6-phenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165382853
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383129
9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 166915555
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383402
6-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383042
18-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 166584471
3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 139315614

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine?
The IUPAC name of 6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine (CID 167638823) is 6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine.
What is the SMILES notation for 6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine?
The canonical SMILES for 6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5nsnc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5nsnc56)cc4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7c6ccc6nsnc67)cc5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.
What is the InChIKey of 6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine?
The InChIKey is OWIYSTQAHABEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N7S.C48H28N6S.C42H28N6S/c1-2-11-35(12-3-1)50-54-51(56-52(55-50)37-13-10-14-38(31-37)59-45-19-8-5-15-39(45)40-16-6-9-20-46(40)59)36-27-23-33(24-28-36)32-21-25-34(26-22-32)48-42-29-30-44-49(58-60-57-44)47(42)41-17-4-7-18-43(41)53-48;1-3-9-35-27-37(23-17-29(35)7-1)47-50-46(51-48(52-47)38-24-18-30-8-2-4-10-36(30)28-38)34-21-15-32(16-22-34)31-13-19-33(20-14-31)44-40-25-26-42-45(54-55-53-42)43(40)39-11-5-6-12-41(39)49-44;1-25-7-11-30(12-8-25)40-44-41(31-13-9-26(2)10-14-31)46-42(45-40)32-21-17-28(18-22-32)27-15-19-29(20-16-27)38-34-23-24-36-39(48-49-47-36)37(34)33-5-3-4-6-35(33)43-38/h1-31H;1-28H;3-24H,1-2H3.
What are the key properties of 6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine?
6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine has a molecular weight of 2155.59 g/mol, XLogP of 35.76, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine is sourced from PubChem (CID 167638823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).