7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole

C51H36N4 — CID 137214915

IUPAC7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-n4c5c(c6ccccc64)-c4ccc(-c6ccc7c(ccc8ccccc87)c6)cc4CC5)cc3)=N2)cc1
InChIInChI=1S/C51H36N4/c1-3-12-34(13-4-1)49-52-50(35-14-5-2-6-15-35)54-51(53-49)36-21-26-41(27-22-36)55-46-18-10-9-17-45(46)48-44-29-24-38(32-40(44)25-30-47(48)55)37-23-28-43-39(31-37)20-19-33-11-7-8-16-42(33)43/h1-24,26-29,31-32,49H,25,30H2,(H,52,53,54)
InChIKeyINWAISKLDMFOAY-UHFFFAOYSA-N
MW704.88 g/mol
LogP11.86
Rot. Bonds5

About 7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole

7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole (PubChem CID 137214915) has the molecular formula C51H36N4 and a molecular weight of 704.88 g/mol. Its IUPAC name is 7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole
PubChem CID137214915
Molecular FormulaC51H36N4
Molecular Weight704.88 g/mol
Exact Mass704.29
IUPAC Name7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-n4c5c(c6ccccc64)-c4ccc(-c6ccc7c(ccc8ccccc87)c6)cc4CC5)cc3)=N2)cc1
InChIInChI=1S/C51H36N4/c1-3-12-34(13-4-1)49-52-50(35-14-5-2-6-15-35)54-51(53-49)36-21-26-41(27-22-36)55-46-18-10-9-17-45(46)48-44-29-24-38(32-40(44)25-30-47(48)55)37-23-28-43-39(31-37)20-19-33-11-7-8-16-42(33)43/h1-24,26-29,31-32,49H,25,30H2,(H,52,53,54)
InChIKeyINWAISKLDMFOAY-UHFFFAOYSA-N
XLogP11.86
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.88
LogP ≤ 511.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
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
4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
2-dibenzothiophen-2-yl-12-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 163940278
12-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032341
3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137198394
3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648799
10-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-11-phenylindolo[3,2-b]quinoline
CID 136931578
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
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
2-carbazol-9-yl-5-[2-(6-phenanthren-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 160929756

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole?
The IUPAC name of 7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole (CID 137214915) is 7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole.
What is the SMILES notation for 7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole?
The canonical SMILES for 7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-n4c5c(c6ccccc64)-c4ccc(-c6ccc7c(ccc8ccccc87)c6)cc4CC5)cc3)=N2)cc1.
What is the InChIKey of 7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole?
The InChIKey is INWAISKLDMFOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4/c1-3-12-34(13-4-1)49-52-50(35-14-5-2-6-15-35)54-51(53-49)36-21-26-41(27-22-36)55-46-18-10-9-17-45(46)48-44-29-24-38(32-40(44)25-30-47(48)55)37-23-28-43-39(31-37)20-19-33-11-7-8-16-42(33)43/h1-24,26-29,31-32,49H,25,30H2,(H,52,53,54).
What are the key properties of 7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole?
7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole has a molecular weight of 704.88 g/mol, XLogP of 11.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-phenanthren-2-yl-5,6-dihydrobenzo[c]carbazole is sourced from PubChem (CID 137214915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).