6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole

C47H33N5 — CID 134507217

IUPAC6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
SMILESCc1c2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2c(C)c2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C47H33N5/c1-30-42-38-23-13-15-25-40(38)52(44(42)31(2)41-37-22-12-14-24-39(37)51(43(30)41)36-20-10-5-11-21-36)47-49-45(34-18-8-4-9-19-34)48-46(50-47)35-28-26-33(27-29-35)32-16-6-3-7-17-32/h3-29H,1-2H3
InChIKeyHOWUDZXGIXRJCD-UHFFFAOYSA-N
MW667.82 g/mol
LogP11.68
Rot. Bonds5

About 6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole

6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (PubChem CID 134507217) has the molecular formula C47H33N5 and a molecular weight of 667.82 g/mol. Its IUPAC name is 6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
PubChem CID134507217
Molecular FormulaC47H33N5
Molecular Weight667.82 g/mol
Exact Mass667.27
IUPAC Name6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
SMILESCc1c2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2c(C)c2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C47H33N5/c1-30-42-38-23-13-15-25-40(38)52(44(42)31(2)41-37-22-12-14-24-39(37)51(43(30)41)36-20-10-5-11-21-36)47-49-45(34-18-8-4-9-19-34)48-46(50-47)35-28-26-33(27-29-35)32-16-6-3-7-17-32/h3-29H,1-2H3
InChIKeyHOWUDZXGIXRJCD-UHFFFAOYSA-N
XLogP11.68
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.82
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole with MolForge

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 134509787
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 58142309
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502129
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 157430170
12-[4-[4-(3,5-dimethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 134509772
5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799969
9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227811
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-27-phenyl-9,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),21,23,25-tridecaene
CID 135232286

Frequently Asked Questions

What is the IUPAC name of 6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The IUPAC name of 6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (CID 134507217) is 6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is Cc1c2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2c(C)c2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The InChIKey is HOWUDZXGIXRJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5/c1-30-42-38-23-13-15-25-40(38)52(44(42)31(2)41-37-22-12-14-24-39(37)51(43(30)41)36-20-10-5-11-21-36)47-49-45(34-18-8-4-9-19-34)48-46(50-47)35-28-26-33(27-29-35)32-16-6-3-7-17-32/h3-29H,1-2H3.
What are the key properties of 6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole has a molecular weight of 667.82 g/mol, XLogP of 11.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dimethyl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 134507217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).