3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole

C58H46N4O — CID 72543324

IUPAC3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole
SMILESCc1ccc(C=Cc2ccc3c4cc5c(cc4n(C)c3c2)c2ccc(Oc3ccc4c6cc7c(cc6n(C)c4c3)c3ccc(C=Cc4ccc(C)cc4)cc3n7C)cc2n5C)cc1
InChIInChI=1S/C58H46N4O/c1-35-7-11-37(12-8-35)15-17-39-19-23-43-47-31-57-49(33-55(47)59(3)51(43)27-39)45-25-21-41(29-53(45)61(57)5)63-42-22-26-46-50-34-56-48(32-58(50)62(6)54(46)30-42)44-24-20-40(28-52(44)60(56)4)18-16-38-13-9-36(2)10-14-38/h7-34H,1-6H3
InChIKeyWVISEDAZWPKOQE-UHFFFAOYSA-N
MW815.03 g/mol
LogP15.02
Rot. Bonds6

About 3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole

3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole (PubChem CID 72543324) has the molecular formula C58H46N4O and a molecular weight of 815.03 g/mol. Its IUPAC name is 3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole
PubChem CID72543324
Molecular FormulaC58H46N4O
Molecular Weight815.03 g/mol
Exact Mass814.37
IUPAC Name3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole
SMILESCc1ccc(C=Cc2ccc3c4cc5c(cc4n(C)c3c2)c2ccc(Oc3ccc4c6cc7c(cc6n(C)c4c3)c3ccc(C=Cc4ccc(C)cc4)cc3n7C)cc2n5C)cc1
InChIInChI=1S/C58H46N4O/c1-35-7-11-37(12-8-35)15-17-39-19-23-43-47-31-57-49(33-55(47)59(3)51(43)27-39)45-25-21-41(29-53(45)61(57)5)63-42-22-26-46-50-34-56-48(32-58(50)62(6)54(46)30-42)44-24-20-40(28-52(44)60(56)4)18-16-38-13-9-36(2)10-14-38/h7-34H,1-6H3
InChIKeyWVISEDAZWPKOQE-UHFFFAOYSA-N
XLogP15.02
TPSA28.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole?
The IUPAC name of 3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole (CID 72543324) is 3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole is Cc1ccc(C=Cc2ccc3c4cc5c(cc4n(C)c3c2)c2ccc(Oc3ccc4c6cc7c(cc6n(C)c4c3)c3ccc(C=Cc4ccc(C)cc4)cc3n7C)cc2n5C)cc1.
What is the InChIKey of 3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole?
The InChIKey is WVISEDAZWPKOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N4O/c1-35-7-11-37(12-8-35)15-17-39-19-23-43-47-31-57-49(33-55(47)59(3)51(43)27-39)45-25-21-41(29-53(45)61(57)5)63-42-22-26-46-50-34-56-48(32-58(50)62(6)54(46)30-42)44-24-20-40(28-52(44)60(56)4)18-16-38-13-9-36(2)10-14-38/h7-34H,1-6H3.
What are the key properties of 3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole?
3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole has a molecular weight of 815.03 g/mol, XLogP of 15.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazol-3-yl]oxy-5,11-dimethyl-9-[2-(4-methylphenyl)ethenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 72543324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).