2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole

C63H45N5 — CID 66804910

IUPAC2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)C(C)(C)c5ccccc5-7)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C63H45N5/c1-62(2)51-26-16-14-24-43(51)45-34-49-47-32-40(28-30-55(47)67(57(49)36-53(45)62)42-22-12-7-13-23-42)41-29-31-56-48(33-41)50-35-46-44-25-15-17-27-52(44)63(3,4)54(46)37-58(50)68(56)61-65-59(38-18-8-5-9-19-38)64-60(66-61)39-20-10-6-11-21-39/h5-37H,1-4H3
InChIKeyXBTCRORAISPTSV-UHFFFAOYSA-N
MW872.09 g/mol
LogP15.68
Rot. Bonds5

About 2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole

2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 66804910) has the molecular formula C63H45N5 and a molecular weight of 872.09 g/mol. Its IUPAC name is 2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID66804910
Molecular FormulaC63H45N5
Molecular Weight872.09 g/mol
Exact Mass871.37
IUPAC Name2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)C(C)(C)c5ccccc5-7)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C63H45N5/c1-62(2)51-26-16-14-24-43(51)45-34-49-47-32-40(28-30-55(47)67(57(49)36-53(45)62)42-22-12-7-13-23-42)41-29-31-56-48(33-41)50-35-46-44-25-15-17-27-52(44)63(3,4)54(46)37-58(50)68(56)61-65-59(38-18-8-5-9-19-38)64-60(66-61)39-20-10-6-11-21-39/h5-37H,1-4H3
InChIKeyXBTCRORAISPTSV-UHFFFAOYSA-N
XLogP15.68
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.09
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole (CID 66804910) is 2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)C(C)(C)c5ccccc5-7)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is XBTCRORAISPTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N5/c1-62(2)51-26-16-14-24-43(51)45-34-49-47-32-40(28-30-55(47)67(57(49)36-53(45)62)42-22-12-7-13-23-42)41-29-31-56-48(33-41)50-35-46-44-25-15-17-27-52(44)63(3,4)54(46)37-58(50)68(56)61-65-59(38-18-8-5-9-19-38)64-60(66-61)39-20-10-6-11-21-39/h5-37H,1-4H3.
What are the key properties of 2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole?
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 872.09 g/mol, XLogP of 15.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 66804910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).