7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole

C57H42N4 — CID 137208678

IUPAC7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole
SMILESC1=CC2c3ccccc3-c3cc(-c4cccc(-c5ccc6c7c(n(-c8cccc(C9=NC(c%10ccccc%10)=NC(c%10ccccc%10)N9)c8)c6c5)CCC=C7)c4)ccc3C2C=C1
InChIInChI=1S/C57H42N4/c1-3-15-37(16-4-1)55-58-56(38-17-5-2-6-18-38)60-57(59-55)43-21-14-22-44(34-43)61-53-28-12-11-27-50(53)51-32-30-42(36-54(51)61)40-20-13-19-39(33-40)41-29-31-49-47-25-8-7-23-45(47)46-24-9-10-26-48(46)52(49)35-41/h1-11,13-27,29-36,45,47,55H,12,28H2,(H,58,59,60)
InChIKeyPUNOJFKOMGRHLN-UHFFFAOYSA-N
MW782.99 g/mol
LogP13.39
Rot. Bonds6

About 7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole

7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole (PubChem CID 137208678) has the molecular formula C57H42N4 and a molecular weight of 782.99 g/mol. Its IUPAC name is 7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole
PubChem CID137208678
Molecular FormulaC57H42N4
Molecular Weight782.99 g/mol
Exact Mass782.34
IUPAC Name7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole
SMILESC1=CC2c3ccccc3-c3cc(-c4cccc(-c5ccc6c7c(n(-c8cccc(C9=NC(c%10ccccc%10)=NC(c%10ccccc%10)N9)c8)c6c5)CCC=C7)c4)ccc3C2C=C1
InChIInChI=1S/C57H42N4/c1-3-15-37(16-4-1)55-58-56(38-17-5-2-6-18-38)60-57(59-55)43-21-14-22-44(34-43)61-53-28-12-11-27-50(53)51-32-30-42(36-54(51)61)40-20-13-19-39(33-40)41-29-31-49-47-25-8-7-23-45(47)46-24-9-10-26-48(46)52(49)35-41/h1-11,13-27,29-36,45,47,55H,12,28H2,(H,58,59,60)
InChIKeyPUNOJFKOMGRHLN-UHFFFAOYSA-N
XLogP13.39
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.99
LogP ≤ 513.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole with MolForge

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Related Compounds

9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole
CID 163879853
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole
CID 159271639
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
12-[3-(4-phenylphenyl)phenyl]-1-[6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 164989882
9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
CID 137128475
9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole
CID 137215423
4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline
CID 137222615
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682
3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 138513984
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
9-(4a,11b-dihydrobenzo[b]carbazol-5-yl)-5-[3-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,4-dihydrobenzo[b]carbazole
CID 139569825
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole?
The IUPAC name of 7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole (CID 137208678) is 7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole.
What is the SMILES notation for 7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole?
The canonical SMILES for 7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole is C1=CC2c3ccccc3-c3cc(-c4cccc(-c5ccc6c7c(n(-c8cccc(C9=NC(c%10ccccc%10)=NC(c%10ccccc%10)N9)c8)c6c5)CCC=C7)c4)ccc3C2C=C1.
What is the InChIKey of 7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole?
The InChIKey is PUNOJFKOMGRHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N4/c1-3-15-37(16-4-1)55-58-56(38-17-5-2-6-18-38)60-57(59-55)43-21-14-22-44(34-43)61-53-28-12-11-27-50(53)51-32-30-42(36-54(51)61)40-20-13-19-39(33-40)41-29-31-49-47-25-8-7-23-45(47)46-24-9-10-26-48(46)52(49)35-41/h1-11,13-27,29-36,45,47,55H,12,28H2,(H,58,59,60).
What are the key properties of 7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole?
7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole has a molecular weight of 782.99 g/mol, XLogP of 13.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole is sourced from PubChem (CID 137208678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).