9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole

C63H50N6 — CID 170002503

IUPAC9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
SMILESCC1=CC2c3cc(C)ccc3N(c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccc(C)cc5c5cc(C)ccc54)c3-n3c4ccc(C)cc4c4cc(C)ccc43)C2C=C1
InChIInChI=1S/C63H50N6/c1-37-17-23-52-46(29-37)47-30-38(2)18-24-53(47)67(52)58-35-45(63-65-61(43-13-9-7-10-14-43)64-62(66-63)44-15-11-8-12-16-44)36-59(68-54-25-19-39(3)31-48(54)49-32-40(4)20-26-55(49)68)60(58)69-56-27-21-41(5)33-50(56)51-34-42(6)22-28-57(51)69/h7-36,46,52H,1-6H3
InChIKeyKUEFLFBMNXURAT-UHFFFAOYSA-N
MW891.14 g/mol
LogP15.73
Rot. Bonds6

About 9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole

9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole (PubChem CID 170002503) has the molecular formula C63H50N6 and a molecular weight of 891.14 g/mol. Its IUPAC name is 9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
PubChem CID170002503
Molecular FormulaC63H50N6
Molecular Weight891.14 g/mol
Exact Mass890.41
IUPAC Name9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
SMILESCC1=CC2c3cc(C)ccc3N(c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccc(C)cc5c5cc(C)ccc54)c3-n3c4ccc(C)cc4c4cc(C)ccc43)C2C=C1
InChIInChI=1S/C63H50N6/c1-37-17-23-52-46(29-37)47-30-38(2)18-24-53(47)67(52)58-35-45(63-65-61(43-13-9-7-10-14-43)64-62(66-63)44-15-11-8-12-16-44)36-59(68-54-25-19-39(3)31-48(54)49-32-40(4)20-26-55(49)68)60(58)69-56-27-21-41(5)33-50(56)51-34-42(6)22-28-57(51)69/h7-36,46,52H,1-6H3
InChIKeyKUEFLFBMNXURAT-UHFFFAOYSA-N
XLogP15.73
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.14
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole with MolForge

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenyl-4a,9a-dihydrocarbazole
CID 138666201
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512114
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline
CID 88867268
9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 142508189
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole
CID 121459405
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3-methylcarbazole
CID 158199307
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
9-[4-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole
CID 138566171
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole
CID 123923868
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 162500647
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456080

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole (CID 170002503) is 9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole is CC1=CC2c3cc(C)ccc3N(c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccc(C)cc5c5cc(C)ccc54)c3-n3c4ccc(C)cc4c4cc(C)ccc43)C2C=C1.
What is the InChIKey of 9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is KUEFLFBMNXURAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50N6/c1-37-17-23-52-46(29-37)47-30-38(2)18-24-53(47)67(52)58-35-45(63-65-61(43-13-9-7-10-14-43)64-62(66-63)44-15-11-8-12-16-44)36-59(68-54-25-19-39(3)31-48(54)49-32-40(4)20-26-55(49)68)60(58)69-56-27-21-41(5)33-50(56)51-34-42(6)22-28-57(51)69/h7-36,46,52H,1-6H3.
What are the key properties of 9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 891.14 g/mol, XLogP of 15.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 170002503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).