9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole

C63H42N6 — CID 123923868

IUPAC9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole
SMILESC1=CC2C(C=C1n1c3ccccc3c3ccc(-c4ccccc4)cc31)c1cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)ccc1N2c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C63H42N6/c1-5-17-41(18-6-1)45-29-33-51-49-25-13-15-27-55(49)67(59(51)37-45)47-31-35-57-53(39-47)54-40-48(68-56-28-16-14-26-50(56)52-34-30-46(38-60(52)68)42-19-7-2-8-20-42)32-36-58(54)69(57)63-65-61(43-21-9-3-10-22-43)64-62(66-63)44-23-11-4-12-24-44/h1-40,53,57H
InChIKeyRPSJINNXAIFIAY-UHFFFAOYSA-N
MW883.07 g/mol
LogP15.46
Rot. Bonds7

About 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole

9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole (PubChem CID 123923868) has the molecular formula C63H42N6 and a molecular weight of 883.07 g/mol. Its IUPAC name is 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole
PubChem CID123923868
Molecular FormulaC63H42N6
Molecular Weight883.07 g/mol
Exact Mass882.35
IUPAC Name9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole
SMILESC1=CC2C(C=C1n1c3ccccc3c3ccc(-c4ccccc4)cc31)c1cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)ccc1N2c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C63H42N6/c1-5-17-41(18-6-1)45-29-33-51-49-25-13-15-27-55(49)67(59(51)37-45)47-31-35-57-53(39-47)54-40-48(68-56-28-16-14-26-50(56)52-34-30-46(38-60(52)68)42-19-7-2-8-20-42)32-36-58(54)69(57)63-65-61(43-21-9-3-10-22-43)64-62(66-63)44-23-11-4-12-24-44/h1-40,53,57H
InChIKeyRPSJINNXAIFIAY-UHFFFAOYSA-N
XLogP15.46
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.07
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456080
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9-phenyl-4a,9a-dihydrocarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9-phenyl-4a,9a-dihydrocarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 157423002
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 145151686
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane
CID 144659402
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179596
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole?
The IUPAC name of 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) is 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole is C1=CC2C(C=C1n1c3ccccc3c3ccc(-c4ccccc4)cc31)c1cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)ccc1N2c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole?
The InChIKey is RPSJINNXAIFIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N6/c1-5-17-41(18-6-1)45-29-33-51-49-25-13-15-27-55(49)67(59(51)37-45)47-31-35-57-53(39-47)54-40-48(68-56-28-16-14-26-50(56)52-34-30-46(38-60(52)68)42-19-7-2-8-20-42)32-36-58(54)69(57)63-65-61(43-21-9-3-10-22-43)64-62(66-63)44-23-11-4-12-24-44/h1-40,53,57H.
What are the key properties of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole?
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole has a molecular weight of 883.07 g/mol, XLogP of 15.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole is sourced from PubChem (CID 123923868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).