5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole

C51H35N5 — CID 167216997

IUPAC5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc(-c6ccccc6)c5)c43)N=C(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C51H35N5/c1-4-16-34(17-5-1)37-22-14-24-39(32-37)50-52-49(36-20-8-3-9-21-36)53-51(54-50)56-44-28-12-10-26-41(44)42-30-31-46-47(48(42)56)43-27-11-13-29-45(43)55(46)40-25-15-23-38(33-40)35-18-6-2-7-19-35/h1-33,51H,(H,52,53,54)
InChIKeyABLGJZGMXRPFJJ-UHFFFAOYSA-N
MW717.88 g/mol
LogP12.18
Rot. Bonds6

About 5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole

5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole (PubChem CID 167216997) has the molecular formula C51H35N5 and a molecular weight of 717.88 g/mol. Its IUPAC name is 5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole
PubChem CID167216997
Molecular FormulaC51H35N5
Molecular Weight717.88 g/mol
Exact Mass717.29
IUPAC Name5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc(-c6ccccc6)c5)c43)N=C(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C51H35N5/c1-4-16-34(17-5-1)37-22-14-24-39(32-37)50-52-49(36-20-8-3-9-21-36)53-51(54-50)56-44-28-12-10-26-41(44)42-30-31-46-47(48(42)56)43-27-11-13-29-45(43)55(46)40-25-15-23-38(33-40)35-18-6-2-7-19-35/h1-33,51H,(H,52,53,54)
InChIKeyABLGJZGMXRPFJJ-UHFFFAOYSA-N
XLogP12.18
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.88
LogP ≤ 512.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 166961159
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 162363414
11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 90247491
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
9-(3-phenylphenyl)-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138747357
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole?
The IUPAC name of 5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole (CID 167216997) is 5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole is c1ccc(C2=NC(n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc(-c6ccccc6)c5)c43)N=C(c3cccc(-c4ccccc4)c3)N2)cc1.
What is the InChIKey of 5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole?
The InChIKey is ABLGJZGMXRPFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5/c1-4-16-34(17-5-1)37-22-14-24-39(32-37)50-52-49(36-20-8-3-9-21-36)53-51(54-50)56-44-28-12-10-26-41(44)42-30-31-46-47(48(42)56)43-27-11-13-29-45(43)55(46)40-25-15-23-38(33-40)35-18-6-2-7-19-35/h1-33,51H,(H,52,53,54).
What are the key properties of 5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole?
5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole has a molecular weight of 717.88 g/mol, XLogP of 12.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 167216997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).