5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole

C50H34N2O — CID 118150738

IUPAC5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole
SMILESCOc1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(C)cc5)c34)c3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C50H34N2O/c1-31-19-23-33(24-20-31)51-43-17-9-7-13-38(43)41-28-30-46-49(50(41)51)42-16-8-10-18-44(42)52(46)45-29-27-35(32-21-25-34(53-2)26-22-32)47-39-14-5-3-11-36(39)37-12-4-6-15-40(37)48(45)47/h3-30H,1-2H3
InChIKeyVIMYSXODAXYTPW-UHFFFAOYSA-N
MW678.84 g/mol
LogP13.32
Rot. Bonds4

About 5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole

5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole (PubChem CID 118150738) has the molecular formula C50H34N2O and a molecular weight of 678.84 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole
PubChem CID118150738
Molecular FormulaC50H34N2O
Molecular Weight678.84 g/mol
Exact Mass678.27
IUPAC Name5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole
SMILESCOc1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(C)cc5)c34)c3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C50H34N2O/c1-31-19-23-33(24-20-31)51-43-17-9-7-13-38(43)41-28-30-46-49(50(41)51)42-16-8-10-18-44(42)52(46)45-29-27-35(32-21-25-34(53-2)26-22-32)47-39-14-5-3-11-36(39)37-12-4-6-15-40(37)48(45)47/h3-30H,1-2H3
InChIKeyVIMYSXODAXYTPW-UHFFFAOYSA-N
XLogP13.32
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene
CID 89416939
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 170267809
12-(4-methylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 121287125
12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831298
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole
CID 88917509
9-(4-methylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361283
3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole
CID 174182442
9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole
CID 159778762
3,5-diphenyl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-(2,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;12-phenyl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 158656844
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 171414486

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole (CID 118150738) is 5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole is COc1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(C)cc5)c34)c3c4ccccc4c4ccccc4c23)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole?
The InChIKey is VIMYSXODAXYTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O/c1-31-19-23-33(24-20-31)51-43-17-9-7-13-38(43)41-28-30-46-49(50(41)51)42-16-8-10-18-44(42)52(46)45-29-27-35(32-21-25-34(53-2)26-22-32)47-39-14-5-3-11-36(39)37-12-4-6-15-40(37)48(45)47/h3-30H,1-2H3.
What are the key properties of 5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole?
5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole has a molecular weight of 678.84 g/mol, XLogP of 13.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)triphenylen-1-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 118150738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).