12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole

C49H29N5O — CID 146642620

IUPAC12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c43)n2)cc1
InChIInChI=1S/C49H29N5O/c1-2-13-31(14-3-1)47-50-48(33-23-27-44-40(29-33)37-18-8-11-21-43(37)55-44)52-49(51-47)54-42-20-10-7-17-36(42)39-26-25-38-35-16-6-9-19-41(35)53(45(38)46(39)54)34-24-22-30-12-4-5-15-32(30)28-34/h1-29H
InChIKeyIRCGCKPVAVVUBJ-UHFFFAOYSA-N
MW703.81 g/mol
LogP12.45
Rot. Bonds4

About 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole

12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole (PubChem CID 146642620) has the molecular formula C49H29N5O and a molecular weight of 703.81 g/mol. Its IUPAC name is 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole
PubChem CID146642620
Molecular FormulaC49H29N5O
Molecular Weight703.81 g/mol
Exact Mass703.24
IUPAC Name12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c43)n2)cc1
InChIInChI=1S/C49H29N5O/c1-2-13-31(14-3-1)47-50-48(33-23-27-44-40(29-33)37-18-8-11-21-43(37)55-44)52-49(51-47)54-42-20-10-7-17-36(42)39-26-25-38-35-16-6-9-19-41(35)53(45(38)46(39)54)34-24-22-30-12-4-5-15-32(30)28-34/h1-29H
InChIKeyIRCGCKPVAVVUBJ-UHFFFAOYSA-N
XLogP12.45
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.81
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 118479991
11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170268393
12-dibenzofuran-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 139497007
12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 139497027
12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170268456
11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169014275
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 176837422
3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 168729255
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165502
9-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953169
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 169037222
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole?
The IUPAC name of 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole (CID 146642620) is 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c43)n2)cc1.
What is the InChIKey of 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole?
The InChIKey is IRCGCKPVAVVUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5O/c1-2-13-31(14-3-1)47-50-48(33-23-27-44-40(29-33)37-18-8-11-21-43(37)55-44)52-49(51-47)54-42-20-10-7-17-36(42)39-26-25-38-35-16-6-9-19-41(35)53(45(38)46(39)54)34-24-22-30-12-4-5-15-32(30)28-34/h1-29H.
What are the key properties of 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole?
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole has a molecular weight of 703.81 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole is sourced from PubChem (CID 146642620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).