8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene

C62H45N7 — CID 163857732

IUPAC8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene
SMILESCc1cccc2c3cccc(C)c3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5c(C)cccc5c5cccc(C)c54)c3-n3c4c(C)cccc4c4ncc5c(c43)C5)c12
InChIInChI=1S/C62H45N7/c1-35-17-12-26-44-45-27-13-18-36(2)54(45)67(53(35)44)50-32-42(62-65-60(40-22-8-6-9-23-40)64-61(66-62)41-24-10-7-11-25-41)33-51(68-55-37(3)19-14-28-46(55)47-29-15-20-38(4)56(47)68)59(50)69-57-39(5)21-16-30-48(57)52-58(69)49-31-43(49)34-63-52/h6-30,32-34H,31H2,1-5H3
InChIKeyOZUAKSUECOZOPQ-UHFFFAOYSA-N
MW888.09 g/mol
LogP15.01
Rot. Bonds6

About 8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene

8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene (PubChem CID 163857732) has the molecular formula C62H45N7 and a molecular weight of 888.09 g/mol. Its IUPAC name is 8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene.

Molecular Properties

Compound Name8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene
PubChem CID163857732
Molecular FormulaC62H45N7
Molecular Weight888.09 g/mol
Exact Mass887.37
IUPAC Name8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene
SMILESCc1cccc2c3cccc(C)c3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5c(C)cccc5c5cccc(C)c54)c3-n3c4c(C)cccc4c4ncc5c(c43)C5)c12
InChIInChI=1S/C62H45N7/c1-35-17-12-26-44-45-27-13-18-36(2)54(45)67(53(35)44)50-32-42(62-65-60(40-22-8-6-9-23-40)64-61(66-62)41-24-10-7-11-25-41)33-51(68-55-37(3)19-14-28-46(55)47-29-15-20-38(4)56(47)68)59(50)69-57-39(5)21-16-30-48(57)52-58(69)49-31-43(49)34-63-52/h6-30,32-34H,31H2,1-5H3
InChIKeyOZUAKSUECOZOPQ-UHFFFAOYSA-N
XLogP15.01
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.09
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene with MolForge

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Related Compounds

8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-dimethyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 135131117
2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
CID 135130837
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
CID 146281289
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
CID 146281025
1-methyl-9-naphthalen-1-yl-8-phenylcarbazole
CID 138623517
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
CID 118518202
8-[2-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131420
5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90291019
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,23-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7(12),8,10,14,16,18(31),20(25),21,23,26,28,30(32)-pentadecaene
CID 169047961
9-[3-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142508176
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158216834

Frequently Asked Questions

What is the IUPAC name of 8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene?
The IUPAC name of 8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene (CID 163857732) is 8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene.
What is the SMILES notation for 8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene?
The canonical SMILES for 8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene is Cc1cccc2c3cccc(C)c3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5c(C)cccc5c5cccc(C)c54)c3-n3c4c(C)cccc4c4ncc5c(c43)C5)c12.
What is the InChIKey of 8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene?
The InChIKey is OZUAKSUECOZOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N7/c1-35-17-12-26-44-45-27-13-18-36(2)54(45)67(53(35)44)50-32-42(62-65-60(40-22-8-6-9-23-40)64-61(66-62)41-24-10-7-11-25-41)33-51(68-55-37(3)19-14-28-46(55)47-29-15-20-38(4)56(47)68)59(50)69-57-39(5)21-16-30-48(57)52-58(69)49-31-43(49)34-63-52/h6-30,32-34H,31H2,1-5H3.
What are the key properties of 8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene?
8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene has a molecular weight of 888.09 g/mol, XLogP of 15.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene is sourced from PubChem (CID 163857732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).