12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole

C45H29N5O — CID 134240137

IUPAC12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole
SMILESC1=Cc2c(c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c4c3n2-c2ccccc2)CC1
InChIInChI=1S/C45H29N5O/c1-3-13-28(14-4-1)43-46-44(29-23-26-40-36(27-29)33-19-9-12-22-39(33)51-40)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-15-5-2-6-16-30/h1-6,8-16,18-27H,7,17H2
InChIKeyRWKRYBLCJNWHQD-UHFFFAOYSA-N
MW655.76 g/mol
LogP11.11
Rot. Bonds4

About 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole

12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole (PubChem CID 134240137) has the molecular formula C45H29N5O and a molecular weight of 655.76 g/mol. Its IUPAC name is 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole
PubChem CID134240137
Molecular FormulaC45H29N5O
Molecular Weight655.76 g/mol
Exact Mass655.24
IUPAC Name12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole
SMILESC1=Cc2c(c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c4c3n2-c2ccccc2)CC1
InChIInChI=1S/C45H29N5O/c1-3-13-28(14-4-1)43-46-44(29-23-26-40-36(27-29)33-19-9-12-22-39(33)51-40)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-15-5-2-6-16-30/h1-6,8-16,18-27H,7,17H2
InChIKeyRWKRYBLCJNWHQD-UHFFFAOYSA-N
XLogP11.11
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.76
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-phenyl-12-[4-(11-phenyl-7,8-dihydroindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 147175999
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene
CID 135192250
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
11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169014275
11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 118479991
2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164970157
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 176837422
11-phenyl-12-(4-phenyl-6-quinolin-2-yl-1,3,5-triazin-2-yl)-7,8-dihydroindolo[2,3-a]carbazole
CID 134240206
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 139497027
24-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177087020
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154464

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole (CID 134240137) is 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole is C1=Cc2c(c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c4c3n2-c2ccccc2)CC1.
What is the InChIKey of 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole?
The InChIKey is RWKRYBLCJNWHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5O/c1-3-13-28(14-4-1)43-46-44(29-23-26-40-36(27-29)33-19-9-12-22-39(33)51-40)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-15-5-2-6-16-30/h1-6,8-16,18-27H,7,17H2.
What are the key properties of 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole?
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole has a molecular weight of 655.76 g/mol, XLogP of 11.11, 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-phenyl-7,8-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 134240137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).