5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole

C51H47N5 — CID 167268436

IUPAC5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole
SMILESCC(C)(C)c1cccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc7c6C(C)(C)CCC7(C)C)c5cc43)n2)c1
InChIInChI=1S/C51H47N5/c1-49(2,3)34-20-15-19-33(29-34)47-52-46(32-17-9-8-10-18-32)53-48(54-47)56-41-25-14-12-22-36(41)38-30-37-35-21-11-13-24-40(35)55(43(37)31-44(38)56)42-26-16-23-39-45(42)51(6,7)28-27-50(39,4)5/h8-26,29-31H,27-28H2,1-7H3
InChIKeyCBIPHVFYCOGGBR-UHFFFAOYSA-N
MW729.97 g/mol
LogP13.05
Rot. Bonds4

About 5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole

5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole (PubChem CID 167268436) has the molecular formula C51H47N5 and a molecular weight of 729.97 g/mol. Its IUPAC name is 5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole
PubChem CID167268436
Molecular FormulaC51H47N5
Molecular Weight729.97 g/mol
Exact Mass729.38
IUPAC Name5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole
SMILESCC(C)(C)c1cccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc7c6C(C)(C)CCC7(C)C)c5cc43)n2)c1
InChIInChI=1S/C51H47N5/c1-49(2,3)34-20-15-19-33(29-34)47-52-46(32-17-9-8-10-18-32)53-48(54-47)56-41-25-14-12-22-36(41)38-30-37-35-21-11-13-24-40(35)55(43(37)31-44(38)56)42-26-16-23-39-45(42)51(6,7)28-27-50(39,4)5/h8-26,29-31H,27-28H2,1-7H3
InChIKeyCBIPHVFYCOGGBR-UHFFFAOYSA-N
XLogP13.05
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.97
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole with MolForge

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Related Compounds

5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole
CID 167268454
5-[4-(2-fluorophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole
CID 167269456
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole
CID 167267748
7-[2-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 167267929
3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
CID 170669493
22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
CID 177087060
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 138623405
5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 118504560
11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21,23,24-tetramethyl-11,15-diazaoctacyclo[13.13.1.116,20.02,14.04,12.05,10.025,29.024,30]triaconta-1(29),2(14),3,5,7,9,12,16,18,20(30),25,27-dodecaene
CID 167268457
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 167267861
7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
CID 169037005
9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole
CID 167285139

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole?
The IUPAC name of 5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole (CID 167268436) is 5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole.
What is the SMILES notation for 5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole?
The canonical SMILES for 5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole is CC(C)(C)c1cccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc7c6C(C)(C)CCC7(C)C)c5cc43)n2)c1.
What is the InChIKey of 5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole?
The InChIKey is CBIPHVFYCOGGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H47N5/c1-49(2,3)34-20-15-19-33(29-34)47-52-46(32-17-9-8-10-18-32)53-48(54-47)56-41-25-14-12-22-36(41)38-30-37-35-21-11-13-24-40(35)55(43(37)31-44(38)56)42-26-16-23-39-45(42)51(6,7)28-27-50(39,4)5/h8-26,29-31H,27-28H2,1-7H3.
What are the key properties of 5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole?
5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole has a molecular weight of 729.97 g/mol, XLogP of 13.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole is sourced from PubChem (CID 167268436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).