6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine

C59H40N6 — CID 121337189

IUPAC6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine
SMILESCC1C=c2nc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3c2=CC1
InChIInChI=1S/C59H40N6/c1-37-25-29-45-44-21-11-12-23-47(44)56(60-51(45)33-37)42-28-32-55-50(36-42)49-35-41(40-26-30-53-48(34-40)46-22-13-14-24-52(46)64(53)43-19-9-4-10-20-43)27-31-54(49)65(55)59-62-57(38-15-5-2-6-16-38)61-58(63-59)39-17-7-3-8-18-39/h2-24,26-37H,25H2,1H3
InChIKeyBFEFWTSYVDQUSS-UHFFFAOYSA-N
MW833.01 g/mol
LogP12.88
Rot. Bonds6

About 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine

6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine (PubChem CID 121337189) has the molecular formula C59H40N6 and a molecular weight of 833.01 g/mol. Its IUPAC name is 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine.

Molecular Properties

Compound Name6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine
PubChem CID121337189
Molecular FormulaC59H40N6
Molecular Weight833.01 g/mol
Exact Mass832.33
IUPAC Name6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine
SMILESCC1C=c2nc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3c2=CC1
InChIInChI=1S/C59H40N6/c1-37-25-29-45-44-21-11-12-23-47(44)56(60-51(45)33-37)42-28-32-55-50(36-42)49-35-41(40-26-30-53-48(34-40)46-22-13-14-24-52(46)64(53)43-19-9-4-10-20-43)27-31-54(49)65(55)59-62-57(38-15-5-2-6-16-38)61-58(63-59)39-17-7-3-8-18-39/h2-24,26-37H,25H2,1H3
InChIKeyBFEFWTSYVDQUSS-UHFFFAOYSA-N
XLogP12.88
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.01
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
3-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcyclohexa-1,5-dien-1-yl]-9-phenylcarbazole
CID 139302548
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158605707
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 90261695

Frequently Asked Questions

What is the IUPAC name of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine?
The IUPAC name of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine (CID 121337189) is 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine.
What is the SMILES notation for 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine?
The canonical SMILES for 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine is CC1C=c2nc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3c2=CC1.
What is the InChIKey of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine?
The InChIKey is BFEFWTSYVDQUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N6/c1-37-25-29-45-44-21-11-12-23-47(44)56(60-51(45)33-37)42-28-32-55-50(36-42)49-35-41(40-26-30-53-48(34-40)46-22-13-14-24-52(46)64(53)43-19-9-4-10-20-43)27-31-54(49)65(55)59-62-57(38-15-5-2-6-16-38)61-58(63-59)39-17-7-3-8-18-39/h2-24,26-37H,25H2,1H3.
What are the key properties of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine?
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine has a molecular weight of 833.01 g/mol, XLogP of 12.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-methyl-2,3-dihydrophenanthridine is sourced from PubChem (CID 121337189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).