12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole

C51H35N5 — CID 167154477

IUPAC12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)ccc6-c6ccccc6)c5c43)=N2)cc1
InChIInChI=1S/C51H35N5/c1-5-17-34(18-6-1)38-29-30-39(35-19-7-2-8-20-35)46(33-38)55-44-27-15-13-25-40(44)42-31-32-43-41-26-14-16-28-45(41)56(48(43)47(42)55)51-53-49(36-21-9-3-10-22-36)52-50(54-51)37-23-11-4-12-24-37/h1-33,49H,(H,52,53,54)
InChIKeyJDBLNBPOHPJPHN-UHFFFAOYSA-N
MW717.88 g/mol
LogP12.18
Rot. Bonds5

About 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole

12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole (PubChem CID 167154477) has the molecular formula C51H35N5 and a molecular weight of 717.88 g/mol. Its IUPAC name is 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
PubChem CID167154477
Molecular FormulaC51H35N5
Molecular Weight717.88 g/mol
Exact Mass717.29
IUPAC Name12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)ccc6-c6ccccc6)c5c43)=N2)cc1
InChIInChI=1S/C51H35N5/c1-5-17-34(18-6-1)38-29-30-39(35-19-7-2-8-20-35)46(33-38)55-44-27-15-13-25-40(44)42-31-32-43-41-26-14-16-28-45(41)56(48(43)47(42)55)51-53-49(36-21-9-3-10-22-36)52-50(54-51)37-23-11-4-12-24-37/h1-33,49H,(H,52,53,54)
InChIKeyJDBLNBPOHPJPHN-UHFFFAOYSA-N
XLogP12.18
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 167154693
12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 137245677
7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 137214924
11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 166922878
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
12'-[2-phenyl-4-(6-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-6-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 162363424
9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole
CID 170097253
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-14-(2,5-diphenylphenyl)-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 167154552
4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274174
2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
CID 153304562

Frequently Asked Questions

What is the IUPAC name of 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole (CID 167154477) is 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole is c1ccc(C2=NC(c3ccccc3)NC(n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)ccc6-c6ccccc6)c5c43)=N2)cc1.
What is the InChIKey of 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is JDBLNBPOHPJPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5/c1-5-17-34(18-6-1)38-29-30-39(35-19-7-2-8-20-35)46(33-38)55-44-27-15-13-25-40(44)42-31-32-43-41-26-14-16-28-45(41)56(48(43)47(42)55)51-53-49(36-21-9-3-10-22-36)52-50(54-51)37-23-11-4-12-24-37/h1-33,49H,(H,52,53,54).
What are the key properties of 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole?
12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 717.88 g/mol, XLogP of 12.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 167154477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).