9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole

C57H38N4O — CID 153304402

IUPAC9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole
SMILESC1=c2oc3ccccc3c2=CC(c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4ccccc4)c3)n2)C1
InChIInChI=1S/C57H38N4O/c1-5-17-37(18-6-1)41-29-31-51-48(33-41)44-25-13-15-27-50(44)61(51)54-46(38-19-7-2-8-20-38)35-43(36-47(54)39-21-9-3-10-22-39)57-59-55(40-23-11-4-12-24-40)58-56(60-57)42-30-32-53-49(34-42)45-26-14-16-28-52(45)62-53/h1-29,31-36,42H,30H2
InChIKeyVNJWQKTYAKGRST-UHFFFAOYSA-N
MW794.96 g/mol
LogP12.80
Rot. Bonds7

About 9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole

9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole (PubChem CID 153304402) has the molecular formula C57H38N4O and a molecular weight of 794.96 g/mol. Its IUPAC name is 9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole
PubChem CID153304402
Molecular FormulaC57H38N4O
Molecular Weight794.96 g/mol
Exact Mass794.30
IUPAC Name9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole
SMILESC1=c2oc3ccccc3c2=CC(c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4ccccc4)c3)n2)C1
InChIInChI=1S/C57H38N4O/c1-5-17-37(18-6-1)41-29-31-51-48(33-41)44-25-13-15-27-50(44)61(51)54-46(38-19-7-2-8-20-38)35-43(36-47(54)39-21-9-3-10-22-39)57-59-55(40-23-11-4-12-24-40)58-56(60-57)42-30-32-53-49(34-42)45-26-14-16-28-52(45)62-53/h1-29,31-36,42H,30H2
InChIKeyVNJWQKTYAKGRST-UHFFFAOYSA-N
XLogP12.80
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.96
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole
CID 174373392
9-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole
CID 146280771
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
CID 167401664
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804
9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2-[(1S)-4-phenylcyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
CID 153304474
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 171771502
3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280367
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole
CID 146280577
9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537
4-[9-[2,6-bis(4-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155446819
(3Z,12E)-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-14-methyl-11,15-dioxa-24-azahexacyclo[14.11.0.04,12.05,10.017,25.018,23]heptacosa-1(16),3,5,7,9,12,17(25),18,20,22,26-undecaene
CID 167149402
7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
CID 163922838

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole?
The IUPAC name of 9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole (CID 153304402) is 9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole is C1=c2oc3ccccc3c2=CC(c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4ccccc4)c3)n2)C1.
What is the InChIKey of 9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole?
The InChIKey is VNJWQKTYAKGRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4O/c1-5-17-37(18-6-1)41-29-31-51-48(33-41)44-25-13-15-27-50(44)61(51)54-46(38-19-7-2-8-20-38)35-43(36-47(54)39-21-9-3-10-22-39)57-59-55(40-23-11-4-12-24-40)58-56(60-57)42-30-32-53-49(34-42)45-26-14-16-28-52(45)62-53/h1-29,31-36,42H,30H2.
What are the key properties of 9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole?
9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole has a molecular weight of 794.96 g/mol, XLogP of 12.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole is sourced from PubChem (CID 153304402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).