8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine

C56H35N5 — CID 138661649

IUPAC8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccc6c7ccccc7c(-c7ccccc7)nc6c4n5-c4ccccc4)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C56H35N5/c1-4-16-37(17-5-1)51-46-26-13-12-25-45(46)47-30-31-48-49-35-41(29-32-50(49)61(53(48)52(47)57-51)44-23-8-3-9-24-44)40-21-14-22-42(34-40)55-58-54(38-18-6-2-7-19-38)59-56(60-55)43-28-27-36-15-10-11-20-39(36)33-43/h1-35H
InChIKeyQMWHTALBIOLBST-UHFFFAOYSA-N
MW777.93 g/mol
LogP14.16
Rot. Bonds6

About 8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine

8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine (PubChem CID 138661649) has the molecular formula C56H35N5 and a molecular weight of 777.93 g/mol. Its IUPAC name is 8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine.

Molecular Properties

Compound Name8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine
PubChem CID138661649
Molecular FormulaC56H35N5
Molecular Weight777.93 g/mol
Exact Mass777.29
IUPAC Name8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccc6c7ccccc7c(-c7ccccc7)nc6c4n5-c4ccccc4)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C56H35N5/c1-4-16-37(17-5-1)51-46-26-13-12-25-45(46)47-30-31-48-49-35-41(29-32-50(49)61(53(48)52(47)57-51)44-23-8-3-9-24-44)40-21-14-22-42(34-40)55-58-54(38-18-6-2-7-19-38)59-56(60-55)43-28-27-36-15-10-11-20-39(36)33-43/h1-35H
InChIKeyQMWHTALBIOLBST-UHFFFAOYSA-N
XLogP14.16
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.93
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine
CID 138661984
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164723862
3-[9-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 130304706
2-[3-[4-naphthalen-2-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 137401845
11,13-diphenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[3,2-c]phenanthridine
CID 138661347
18-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 166584471
3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799955
1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807703
6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine
CID 148557011
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020
12-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 58556525
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole
CID 135144088

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine?
The IUPAC name of 8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine (CID 138661649) is 8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine.
What is the SMILES notation for 8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine?
The canonical SMILES for 8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccc6c7ccccc7c(-c7ccccc7)nc6c4n5-c4ccccc4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine?
The InChIKey is QMWHTALBIOLBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5/c1-4-16-37(17-5-1)51-46-26-13-12-25-45(46)47-30-31-48-49-35-41(29-32-50(49)61(53(48)52(47)57-51)44-23-8-3-9-24-44)40-21-14-22-42(34-40)55-58-54(38-18-6-2-7-19-38)59-56(60-55)43-28-27-36-15-10-11-20-39(36)33-43/h1-35H.
What are the key properties of 8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine?
8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine has a molecular weight of 777.93 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,13-diphenylindolo[3,2-c]phenanthridine is sourced from PubChem (CID 138661649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).