11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole

C63H43N5 — CID 167154693

IUPAC11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(C3N=C(c4cccc(-c5ccccc5)c4)N=C(n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7-c7ccccc7)c6c54)N3)cc2)cc1
InChIInChI=1S/C63H43N5/c1-5-18-42(19-6-1)45-32-34-47(35-33-45)61-64-62(50-27-17-26-48(40-50)43-20-7-2-8-21-43)66-63(65-61)68-57-31-16-14-29-52(57)54-38-37-53-51-28-13-15-30-56(51)67(59(53)60(54)68)58-39-36-49(44-22-9-3-10-23-44)41-55(58)46-24-11-4-12-25-46/h1-41,61H,(H,64,65,66)
InChIKeyLYSUBBRXQUIHCI-UHFFFAOYSA-N
MW870.07 g/mol
LogP15.51
Rot. Bonds7

About 11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole

11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole (PubChem CID 167154693) has the molecular formula C63H43N5 and a molecular weight of 870.07 g/mol. Its IUPAC name is 11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
PubChem CID167154693
Molecular FormulaC63H43N5
Molecular Weight870.07 g/mol
Exact Mass869.35
IUPAC Name11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(C3N=C(c4cccc(-c5ccccc5)c4)N=C(n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7-c7ccccc7)c6c54)N3)cc2)cc1
InChIInChI=1S/C63H43N5/c1-5-18-42(19-6-1)45-32-34-47(35-33-45)61-64-62(50-27-17-26-48(40-50)43-20-7-2-8-21-43)66-63(65-61)68-57-31-16-14-29-52(57)54-38-37-53-51-28-13-15-30-56(51)67(59(53)60(54)68)58-39-36-49(44-22-9-3-10-23-44)41-55(58)46-24-11-4-12-25-46/h1-41,61H,(H,64,65,66)
InChIKeyLYSUBBRXQUIHCI-UHFFFAOYSA-N
XLogP15.51
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.07
LogP ≤ 515.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 167154477
12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 137245677
11-(3,5-diphenylphenyl)-12-[4-phenyl-2-[3-(6-phenyl-2-pyridinyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 166922878
7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 137214924
12'-[2-phenyl-4-(6-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-6-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 162363424
11-[2-phenyl-4-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167154429
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
12-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 166668224
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-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
CID 170138787
9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
CID 137128475

Frequently Asked Questions

What is the IUPAC name of 11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole (CID 167154693) is 11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(C3N=C(c4cccc(-c5ccccc5)c4)N=C(n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7-c7ccccc7)c6c54)N3)cc2)cc1.
What is the InChIKey of 11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole?
The InChIKey is LYSUBBRXQUIHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N5/c1-5-18-42(19-6-1)45-32-34-47(35-33-45)61-64-62(50-27-17-26-48(40-50)43-20-7-2-8-21-43)66-63(65-61)68-57-31-16-14-29-52(57)54-38-37-53-51-28-13-15-30-56(51)67(59(53)60(54)68)58-39-36-49(44-22-9-3-10-23-44)41-55(58)46-24-11-4-12-25-46/h1-41,61H,(H,64,65,66).
What are the key properties of 11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole?
11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole has a molecular weight of 870.07 g/mol, XLogP of 15.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4-diphenylphenyl)-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167154693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).