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

C45H29N5 — CID 118504546

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)c2)cc1
InChIInChI=1S/C45H29N5/c1-4-15-30(16-5-1)33-21-14-22-34(29-33)49-39-26-13-11-24-37(39)41-40(49)28-27-36-35-23-10-12-25-38(35)50(42(36)41)45-47-43(31-17-6-2-7-18-31)46-44(48-45)32-19-8-3-9-20-32/h1-29H
InChIKeyRHTUZXUFYNGZQV-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.07
Rot. Bonds5

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

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 118504546) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID118504546
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)c2)cc1
InChIInChI=1S/C45H29N5/c1-4-15-30(16-5-1)33-21-14-22-34(29-33)49-39-26-13-11-24-37(39)41-40(49)28-27-36-35-23-10-12-25-38(35)50(42(36)41)45-47-43(31-17-6-2-7-18-31)46-44(48-45)32-19-8-3-9-20-32/h1-29H
InChIKeyRHTUZXUFYNGZQV-UHFFFAOYSA-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 ≤ 500639.76
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 161319412
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170542511
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 170268481
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159270827
5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 129141708
12-(3-phenylphenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 134507233
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268443
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 88917516
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 170268493
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-triphenylen-2-ylindolo[3,2-c]carbazole
CID 170318147

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 118504546) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)c2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is RHTUZXUFYNGZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-4-15-30(16-5-1)33-21-14-22-34(29-33)49-39-26-13-11-24-37(39)41-40(49)28-27-36-35-23-10-12-25-38(35)50(42(36)41)45-47-43(31-17-6-2-7-18-31)46-44(48-45)32-19-8-3-9-20-32/h1-29H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 639.76 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 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 118504546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).