4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline

C55H36N6 — CID 139303974

IUPAC4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
SMILESNc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc5ccccc45)c32)cc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C55H36N6/c56-46-32-30-40(34-45(46)55-58-53(38-17-5-2-6-18-38)57-54(59-55)39-28-26-36(27-29-39)35-14-3-1-4-15-35)60-48-23-11-9-21-42(48)43-31-33-50-51(52(43)60)44-22-10-12-24-49(44)61(50)47-25-13-19-37-16-7-8-20-41(37)47/h1-34H,56H2
InChIKeySTSFNGXUVQKXDL-UHFFFAOYSA-N
MW780.94 g/mol
LogP13.47
Rot. Bonds6

About 4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline

4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline (PubChem CID 139303974) has the molecular formula C55H36N6 and a molecular weight of 780.94 g/mol. Its IUPAC name is 4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound Name4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
PubChem CID139303974
Molecular FormulaC55H36N6
Molecular Weight780.94 g/mol
Exact Mass780.30
IUPAC Name4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
SMILESNc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc5ccccc45)c32)cc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C55H36N6/c56-46-32-30-40(34-45(46)55-58-53(38-17-5-2-6-18-38)57-54(59-55)39-28-26-36(27-29-39)35-14-3-1-4-15-35)60-48-23-11-9-21-42(48)43-31-33-50-51(52(43)60)44-22-10-12-24-49(44)61(50)47-25-13-19-37-16-7-8-20-41(37)47/h1-34H,56H2
InChIKeySTSFNGXUVQKXDL-UHFFFAOYSA-N
XLogP13.47
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.94
LogP ≤ 513.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156531291
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 158616236
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole
CID 170148217
5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole
CID 155631323
5-naphthalen-1-yl-12-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3-phenylphenyl)-12-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 159221597
5-naphthalen-1-yl-12-(6-phenylnaphthalen-1-yl)indolo[3,2-c]carbazole
CID 142482126
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 155240321
5-naphthalen-1-yl-12-(4-phenylnaphthalen-2-yl)indolo[3,2-c]carbazole
CID 167141720
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763
5-naphthalen-2-yl-12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240395
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597913

Frequently Asked Questions

What is the IUPAC name of 4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline?
The IUPAC name of 4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline (CID 139303974) is 4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for 4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for 4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline is Nc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc5ccccc45)c32)cc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline?
The InChIKey is STSFNGXUVQKXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N6/c56-46-32-30-40(34-45(46)55-58-53(38-17-5-2-6-18-38)57-54(59-55)39-28-26-36(27-29-39)35-14-3-1-4-15-35)60-48-23-11-9-21-42(48)43-31-33-50-51(52(43)60)44-22-10-12-24-49(44)61(50)47-25-13-19-37-16-7-8-20-41(37)47/h1-34H,56H2.
What are the key properties of 4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline?
4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline has a molecular weight of 780.94 g/mol, XLogP of 13.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 139303974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).