4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C69H45N7 — CID 134187059

IUPAC4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESC1=CC2c3ccccc3N(c3cccc4c3c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c7ccccc7c7c(-n8c9ccccc9c9ccccc98)cccc76)c5)n4)c3)C2C=C1
InChIInChI=1S/C69H45N7/c1-2-20-44(21-3-1)67-70-68(45-22-16-24-47(42-45)73-59-36-14-8-30-53(59)65-61(73)38-18-40-63(65)75-55-32-10-4-26-49(55)50-27-5-11-33-56(50)75)72-69(71-67)46-23-17-25-48(43-46)74-60-37-15-9-31-54(60)66-62(74)39-19-41-64(66)76-57-34-12-6-28-51(57)52-29-7-13-35-58(52)76/h1-43,49,55H
InChIKeyURAMBAMFSBQODZ-UHFFFAOYSA-N
MW972.17 g/mol
LogP16.89
Rot. Bonds7

About 4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 134187059) has the molecular formula C69H45N7 and a molecular weight of 972.17 g/mol. Its IUPAC name is 4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID134187059
Molecular FormulaC69H45N7
Molecular Weight972.17 g/mol
Exact Mass971.37
IUPAC Name4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESC1=CC2c3ccccc3N(c3cccc4c3c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c7ccccc7c7c(-n8c9ccccc9c9ccccc98)cccc76)c5)n4)c3)C2C=C1
InChIInChI=1S/C69H45N7/c1-2-20-44(21-3-1)67-70-68(45-22-16-24-47(42-45)73-59-36-14-8-30-53(59)65-61(73)38-18-40-63(65)75-55-32-10-4-26-49(55)50-27-5-11-33-56(50)75)72-69(71-67)46-23-17-25-48(43-46)74-60-37-15-9-31-54(60)66-62(74)39-19-41-64(66)76-57-34-12-6-28-51(57)52-29-7-13-35-58(52)76/h1-43,49,55H
InChIKeyURAMBAMFSBQODZ-UHFFFAOYSA-N
XLogP16.89
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.17
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 123849393
9-[2-(4a,9a-dihydrocarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 163606188
4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170097372
5-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 167280974
2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 174273630
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 70912427
9-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4a,9a-dihydrocarbazole
CID 166918873
1-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121459383
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
(4aR)-12-(3-phenylphenyl)-11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 170023088

Frequently Asked Questions

What is the IUPAC name of 4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 134187059) is 4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is C1=CC2c3ccccc3N(c3cccc4c3c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c7ccccc7c7c(-n8c9ccccc9c9ccccc98)cccc76)c5)n4)c3)C2C=C1.
What is the InChIKey of 4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is URAMBAMFSBQODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N7/c1-2-20-44(21-3-1)67-70-68(45-22-16-24-47(42-45)73-59-36-14-8-30-53(59)65-61(73)38-18-40-63(65)75-55-32-10-4-26-49(55)50-27-5-11-33-56(50)75)72-69(71-67)46-23-17-25-48(43-46)74-60-37-15-9-31-54(60)66-62(74)39-19-41-64(66)76-57-34-12-6-28-51(57)52-29-7-13-35-58(52)76/h1-43,49,55H.
What are the key properties of 4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 972.17 g/mol, XLogP of 16.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 134187059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).