9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole

C51H36N4 — CID 163672751

IUPAC9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccc4c(c3)c3c(c5ccccc54)C(c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)CC=C3)c3ccccc23)CC1
InChIInChI=1S/C51H36N4/c1-3-15-33(16-4-1)35-19-13-20-36(31-35)50-52-49(34-17-5-2-6-18-34)53-51(54-50)44-26-14-25-43-45-32-37(29-30-39(45)38-21-7-8-24-42(38)48(43)44)55-46-27-11-9-22-40(46)41-23-10-12-28-47(41)55/h1-11,13-25,27,29-32,44H,12,26,28H2
InChIKeyJDZPBPBSWAQCAS-UHFFFAOYSA-N
MW704.88 g/mol
LogP12.63
Rot. Bonds5

About 9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole

9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole (PubChem CID 163672751) has the molecular formula C51H36N4 and a molecular weight of 704.88 g/mol. Its IUPAC name is 9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole
PubChem CID163672751
Molecular FormulaC51H36N4
Molecular Weight704.88 g/mol
Exact Mass704.29
IUPAC Name9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccc4c(c3)c3c(c5ccccc54)C(c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)CC=C3)c3ccccc23)CC1
InChIInChI=1S/C51H36N4/c1-3-15-33(16-4-1)35-19-13-20-36(31-35)50-52-49(34-17-5-2-6-18-34)53-51(54-50)44-26-14-25-43-45-32-37(29-30-39(45)38-21-7-8-24-42(38)48(43)44)55-46-27-11-9-22-40(46)41-23-10-12-28-47(41)55/h1-11,13-25,27,29-32,44H,12,26,28H2
InChIKeyJDZPBPBSWAQCAS-UHFFFAOYSA-N
XLogP12.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.88
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 154971962
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 168748082
3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170317164
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 161261122
6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole
CID 155111392
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole
CID 146489535

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole?
The IUPAC name of 9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole (CID 163672751) is 9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole is C1=Cc2c(n(-c3ccc4c(c3)c3c(c5ccccc54)C(c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)CC=C3)c3ccccc23)CC1.
What is the InChIKey of 9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole?
The InChIKey is JDZPBPBSWAQCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4/c1-3-15-33(16-4-1)35-19-13-20-36(31-35)50-52-49(34-17-5-2-6-18-34)53-51(54-50)44-26-14-25-43-45-32-37(29-30-39(45)38-21-7-8-24-42(38)48(43)44)55-46-27-11-9-22-40(46)41-23-10-12-28-47(41)55/h1-11,13-25,27,29-32,44H,12,26,28H2.
What are the key properties of 9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole?
9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole has a molecular weight of 704.88 g/mol, XLogP of 12.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 163672751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).