6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole

C65H44N4 — CID 163684121

IUPAC6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4cccc5c4CCc4ccccc4-5)ccc2n3-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C65H44N4/c1-5-18-43(19-6-1)52-41-58(44-20-7-2-8-21-44)62-60(42-52)59-40-50(55-32-17-33-56-54-31-14-13-22-45(54)34-36-57(55)56)35-37-61(59)69(62)53-30-16-28-49(39-53)48-27-15-29-51(38-48)65-67-63(46-23-9-3-10-24-46)66-64(68-65)47-25-11-4-12-26-47/h1-33,35,37-42H,34,36H2
InChIKeyJNJDDKZHWXOHQI-UHFFFAOYSA-N
MW881.10 g/mol
LogP16.40
Rot. Bonds8

About 6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole

6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole (PubChem CID 163684121) has the molecular formula C65H44N4 and a molecular weight of 881.10 g/mol. Its IUPAC name is 6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole.

Molecular Properties

Compound Name6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole
PubChem CID163684121
Molecular FormulaC65H44N4
Molecular Weight881.10 g/mol
Exact Mass880.36
IUPAC Name6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4cccc5c4CCc4ccccc4-5)ccc2n3-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C65H44N4/c1-5-18-43(19-6-1)52-41-58(44-20-7-2-8-21-44)62-60(42-52)59-40-50(55-32-17-33-56-54-31-14-13-22-45(54)34-36-57(55)56)35-37-61(59)69(62)53-30-16-28-49(39-53)48-27-15-29-51(38-48)65-67-63(46-23-9-3-10-24-46)66-64(68-65)47-25-11-4-12-26-47/h1-33,35,37-42H,34,36H2
InChIKeyJNJDDKZHWXOHQI-UHFFFAOYSA-N
XLogP16.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.10
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
3-[8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9H-fluoren-1-yl]-6-(3,5-diphenylphenyl)-9-phenylcarbazole
CID 144825807
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(3-phenylcarbazol-9-yl)carbazole
CID 121382492
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole
CID 144834685
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole
CID 146648749
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
6-naphthalen-1-yl-1,3,9-triphenylcarbazole
CID 118448580
9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 162500533
3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 145016968
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877

Frequently Asked Questions

What is the IUPAC name of 6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole?
The IUPAC name of 6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole (CID 163684121) is 6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole.
What is the SMILES notation for 6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole?
The canonical SMILES for 6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole is c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4cccc5c4CCc4ccccc4-5)ccc2n3-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole?
The InChIKey is JNJDDKZHWXOHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N4/c1-5-18-43(19-6-1)52-41-58(44-20-7-2-8-21-44)62-60(42-52)59-40-50(55-32-17-33-56-54-31-14-13-22-45(54)34-36-57(55)56)35-37-61(59)69(62)53-30-16-28-49(39-53)48-27-15-29-51(38-48)65-67-63(46-23-9-3-10-24-46)66-64(68-65)47-25-11-4-12-26-47/h1-33,35,37-42H,34,36H2.
What are the key properties of 6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole?
6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole has a molecular weight of 881.10 g/mol, XLogP of 16.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,10-dihydrophenanthren-1-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylcarbazole is sourced from PubChem (CID 163684121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).