6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

C45H29N5 — CID 176824418

IUPAC6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c2c(c3ccccc3n2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)31-24-26-33(27-25-31)44-46-43(32-16-6-2-7-17-32)47-45(48-44)50-39-23-13-11-21-37(39)41-40(50)29-28-36-35-20-10-12-22-38(35)49(42(36)41)34-18-8-3-9-19-34/h1-29H/i28D,29D
InChIKeyLRWYAKFLEGZZKM-DXNBAVLYSA-N
MW641.77 g/mol
LogP11.07
Rot. Bonds5

About 6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (PubChem CID 176824418) has the molecular formula C45H29N5 and a molecular weight of 641.77 g/mol. Its IUPAC name is 6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
PubChem CID176824418
Molecular FormulaC45H29N5
Molecular Weight641.77 g/mol
Exact Mass641.25
IUPAC Name6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c2c(c3ccccc3n2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)31-24-26-33(27-25-31)44-46-43(32-16-6-2-7-17-32)47-45(48-44)50-39-23-13-11-21-37(39)41-40(50)29-28-36-35-20-10-12-22-38(35)49(42(36)41)34-18-8-3-9-19-34/h1-29H/i28D,29D
InChIKeyLRWYAKFLEGZZKM-DXNBAVLYSA-N
XLogP11.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.77
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 162424757
12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 162424954
12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 168729598
12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 158439679
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
12-phenyl-5-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 166511987
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
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
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 170255530

Frequently Asked Questions

What is the IUPAC name of 6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (CID 176824418) is 6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is [2H]c1c([2H])c2c(c3ccccc3n2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The InChIKey is LRWYAKFLEGZZKM-DXNBAVLYSA-N. The full InChI is InChI=1S/C45H29N5/c1-4-14-30(15-5-1)31-24-26-33(27-25-31)44-46-43(32-16-6-2-7-17-32)47-45(48-44)50-39-23-13-11-21-37(39)41-40(50)29-28-36-35-20-10-12-22-38(35)49(42(36)41)34-18-8-3-9-19-34/h1-29H/i28D,29D.
What are the key properties of 6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole has a molecular weight of 641.77 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 176824418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).