9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole

C57H39N5 — CID 174272126

IUPAC9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(C2=NC(c3ccccc3-n3c4ccc(-c5ccccc5)cc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C57H39N5/c1-5-19-38(20-6-1)41-35-36-50-47(37-41)54-44(43-29-17-33-51-53(43)45-27-13-15-31-48(45)61(51)42-25-11-4-12-26-42)30-18-34-52(54)62(50)49-32-16-14-28-46(49)57-59-55(39-21-7-2-8-22-39)58-56(60-57)40-23-9-3-10-24-40/h1-37,57H,(H,58,59,60)
InChIKeyUZRANAAZRRYTPS-UHFFFAOYSA-N
MW793.97 g/mol
LogP13.71
Rot. Bonds7

About 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole

9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 174272126) has the molecular formula C57H39N5 and a molecular weight of 793.97 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
PubChem CID174272126
Molecular FormulaC57H39N5
Molecular Weight793.97 g/mol
Exact Mass793.32
IUPAC Name9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(C2=NC(c3ccccc3-n3c4ccc(-c5ccccc5)cc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C57H39N5/c1-5-19-38(20-6-1)41-35-36-50-47(37-41)54-44(43-29-17-33-51-53(43)45-27-13-15-31-48(45)61(51)42-25-11-4-12-26-42)30-18-34-52(54)62(50)49-32-16-14-28-46(49)57-59-55(39-21-7-2-8-22-39)58-56(60-57)40-23-9-3-10-24-40/h1-37,57H,(H,58,59,60)
InChIKeyUZRANAAZRRYTPS-UHFFFAOYSA-N
XLogP13.71
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 513.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
CID 174274955
4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274036
4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274174
5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273713
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile
CID 174272506
4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032127
5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
CID 171596813
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902
7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole
CID 166915900
9-[2-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-(7,9-diphenyl-4b,8a-dihydrocarbazol-4-yl)carbazole
CID 174270597
9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174269557
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole (CID 174272126) is 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole is c1ccc(C2=NC(c3ccccc3-n3c4ccc(-c5ccccc5)cc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is UZRANAAZRRYTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N5/c1-5-19-38(20-6-1)41-35-36-50-47(37-41)54-44(43-29-17-33-51-53(43)45-27-13-15-31-48(45)61(51)42-25-11-4-12-26-42)30-18-34-52(54)62(50)49-32-16-14-28-46(49)57-59-55(39-21-7-2-8-22-39)58-56(60-57)40-23-9-3-10-24-40/h1-37,57H,(H,58,59,60).
What are the key properties of 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 793.97 g/mol, XLogP of 13.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 174272126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).