5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole

C65H41N3 — CID 88560608

IUPAC5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole
SMILESC1=CC2C=CC(n3c4ccccc4c4c3ccc3c5ccccc5n(C5=CC(c6cc7ccc8cccc9ccc(c6)c7c89)NC(c6cc7ccc8cccc9ccc(c6)c7c89)=C5)c34)=CC2C=C1
InChIInChI=1S/C65H41N3/c1-2-10-43-35-50(28-27-38(43)9-1)67-58-18-6-4-16-54(58)64-59(67)30-29-53-52-15-3-5-17-57(52)68(65(53)64)51-36-55(48-31-44-23-19-39-11-7-12-40-20-24-45(32-48)62(44)60(39)40)66-56(37-51)49-33-46-25-21-41-13-8-14-42-22-26-47(34-49)63(46)61(41)42/h1-38,43,55,66H
InChIKeyAWJNJSYKVDIQQC-UHFFFAOYSA-N
MW864.06 g/mol
LogP16.69
Rot. Bonds4

About 5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole

5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole (PubChem CID 88560608) has the molecular formula C65H41N3 and a molecular weight of 864.06 g/mol. Its IUPAC name is 5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole
PubChem CID88560608
Molecular FormulaC65H41N3
Molecular Weight864.06 g/mol
Exact Mass863.33
IUPAC Name5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole
SMILESC1=CC2C=CC(n3c4ccccc4c4c3ccc3c5ccccc5n(C5=CC(c6cc7ccc8cccc9ccc(c6)c7c89)NC(c6cc7ccc8cccc9ccc(c6)c7c89)=C5)c34)=CC2C=C1
InChIInChI=1S/C65H41N3/c1-2-10-43-35-50(28-27-38(43)9-1)67-58-18-6-4-16-54(58)64-59(67)30-29-53-52-15-3-5-17-57(52)68(65(53)64)51-36-55(48-31-44-23-19-39-11-7-12-40-20-24-45(32-48)62(44)60(39)40)66-56(37-51)49-33-46-25-21-41-13-8-14-42-22-26-47(34-49)63(46)61(41)42/h1-38,43,55,66H
InChIKeyAWJNJSYKVDIQQC-UHFFFAOYSA-N
XLogP16.69
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.06
LogP ≤ 516.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole?
The IUPAC name of 5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole (CID 88560608) is 5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole is C1=CC2C=CC(n3c4ccccc4c4c3ccc3c5ccccc5n(C5=CC(c6cc7ccc8cccc9ccc(c6)c7c89)NC(c6cc7ccc8cccc9ccc(c6)c7c89)=C5)c34)=CC2C=C1.
What is the InChIKey of 5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole?
The InChIKey is AWJNJSYKVDIQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N3/c1-2-10-43-35-50(28-27-38(43)9-1)67-58-18-6-4-16-54(58)64-59(67)30-29-53-52-15-3-5-17-57(52)68(65(53)64)51-36-55(48-31-44-23-19-39-11-7-12-40-20-24-45(32-48)62(44)60(39)40)66-56(37-51)49-33-46-25-21-41-13-8-14-42-22-26-47(34-49)63(46)61(41)42/h1-38,43,55,66H.
What are the key properties of 5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole?
5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole has a molecular weight of 864.06 g/mol, XLogP of 16.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4a,8a-dihydronaphthalen-2-yl)-12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 88560608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).