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

C62H47N7 — CID 135131117

IUPAC8-[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
SMILESCc1cccc2c3cccc(C)c3n(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5c(C)cccc5c5cccc(C)c54)c3-n3c4c(C)ccnc4c4nccc(C)c43)c12
InChIInChI=1S/C62H47N7/c1-36-17-13-25-45-46-26-14-18-37(2)56(46)67(55(36)45)51-33-44(50-35-49(42-21-9-7-10-22-42)65-62(66-50)43-23-11-8-12-24-43)34-52(68-57-38(3)19-15-27-47(57)48-28-16-20-39(4)58(48)68)61(51)69-59-40(5)29-31-63-53(59)54-60(69)41(6)30-32-64-54/h7-35H,1-6H3
InChIKeyKOPPYRZJHIPUKH-UHFFFAOYSA-N
MW890.11 g/mol
LogP15.41
Rot. Bonds6

About 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

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 (PubChem CID 135131117) has the molecular formula C62H47N7 and a molecular weight of 890.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID135131117
Molecular FormulaC62H47N7
Molecular Weight890.11 g/mol
Exact Mass889.39
IUPAC Name8-[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
SMILESCc1cccc2c3cccc(C)c3n(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5c(C)cccc5c5cccc(C)c54)c3-n3c4c(C)ccnc4c4nccc(C)c43)c12
InChIInChI=1S/C62H47N7/c1-36-17-13-25-45-46-26-14-18-37(2)56(46)67(55(36)45)51-33-44(50-35-49(42-21-9-7-10-22-42)65-62(66-50)43-23-11-8-12-24-43)34-52(68-57-38(3)19-15-27-47(57)48-28-16-20-39(4)58(48)68)61(51)69-59-40(5)29-31-63-53(59)54-60(69)41(6)30-32-64-54/h7-35H,1-6H3
InChIKeyKOPPYRZJHIPUKH-UHFFFAOYSA-N
XLogP15.41
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.11
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
CID 169056002
8-[2,6-bis(3,6-dimethylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,12-dimethyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,6-bis(3,6-dimethylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)-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 160536422
10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine
CID 135131249
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,3,6,8-tetramethylcarbazole
CID 155766144
3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 152543561
5-[9-(4,6-diphenylpyrimidin-2-yl)-8-(1-methylcarbazol-9-yl)carbazol-3-yl]-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-1-triphenylen-2-ylcarbazole
CID 138623574
1-methyl-9-naphthalen-1-yl-8-phenylcarbazole
CID 138623517
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole
CID 166509952
ethane;18-methyl-11-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]pyrimidin-2-yl]-12-azatricyclo[8.8.0.02,7]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene
CID 144876829
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
CID 161043519

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc2c3cccc(C)c3n(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5c(C)cccc5c5cccc(C)c54)c3-n3c4c(C)ccnc4c4nccc(C)c43)c12.
What is the InChIKey of 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?
The InChIKey is KOPPYRZJHIPUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N7/c1-36-17-13-25-45-46-26-14-18-37(2)56(46)67(55(36)45)51-33-44(50-35-49(42-21-9-7-10-22-42)65-62(66-50)43-23-11-8-12-24-43)34-52(68-57-38(3)19-15-27-47(57)48-28-16-20-39(4)58(48)68)61(51)69-59-40(5)29-31-63-53(59)54-60(69)41(6)30-32-64-54/h7-35H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 890.11 g/mol, XLogP of 15.41, 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-(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 is sourced from PubChem (CID 135131117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).