8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole

C48H32N4 — CID 90296256

IUPAC8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(n4-c4ccccc4)-c4ccccc4C3(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C48H32N4/c1-6-18-33(19-7-1)45-49-46(34-20-8-2-9-21-34)51-47(50-45)35-30-31-42-40(32-35)43-44(52(42)38-26-14-5-15-27-38)39-28-16-17-29-41(39)48(43,36-22-10-3-11-23-36)37-24-12-4-13-25-37/h1-32H
InChIKeyCXNAGAAUJDYYKI-UHFFFAOYSA-N
MW664.81 g/mol
LogP11.18
Rot. Bonds6

About 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole (PubChem CID 90296256) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole.

Molecular Properties

Compound Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
PubChem CID90296256
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(n4-c4ccccc4)-c4ccccc4C3(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C48H32N4/c1-6-18-33(19-7-1)45-49-46(34-20-8-2-9-21-34)51-47(50-45)35-30-31-42-40(32-35)43-44(52(42)38-26-14-5-15-27-38)39-28-16-17-29-41(39)48(43,36-22-10-3-11-23-36)37-24-12-4-13-25-37/h1-32H
InChIKeyCXNAGAAUJDYYKI-UHFFFAOYSA-N
XLogP11.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
CID 90296243
9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 159443328
5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265297
5,10-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole;5-(9,9-diphenylfluoren-2-yl)-10,10-diphenylindeno[1,2-b]indole;5'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,10'-indeno[1,2-b]indole]
CID 159515006
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene
CID 90270443
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465659
5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100123
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 118507817
9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
7,7-dimethyl-5-phenyl-2-[4-phenyl-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 90059506
8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121275073

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole?
The IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole (CID 90296256) is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole.
What is the SMILES notation for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole?
The canonical SMILES for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(n4-c4ccccc4)-c4ccccc4C3(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole?
The InChIKey is CXNAGAAUJDYYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-6-18-33(19-7-1)45-49-46(34-20-8-2-9-21-34)51-47(50-45)35-30-31-42-40(32-35)43-44(52(42)38-26-14-5-15-27-38)39-28-16-17-29-41(39)48(43,36-22-10-3-11-23-36)37-24-12-4-13-25-37/h1-32H.
What are the key properties of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole?
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole has a molecular weight of 664.81 g/mol, XLogP of 11.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole is sourced from PubChem (CID 90296256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).