12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole

C65H39N3 — CID 129209793

IUPAC12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole
SMILESC1=C(c2cc3ccc4cccc5ccc(c2)c3c45)NC(c2cc3ccc4cccc5ccc(c2)c3c45)C=C1n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccc4ccccc4c3)c21
InChIInChI=1S/C65H39N3/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/h1-37,55,66H
InChIKeyUGFUPCYKGVVFLM-UHFFFAOYSA-N
MW862.05 g/mol
LogP17.07
Rot. Bonds4

About 12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole

12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole (PubChem CID 129209793) has the molecular formula C65H39N3 and a molecular weight of 862.05 g/mol. Its IUPAC name is 12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole
PubChem CID129209793
Molecular FormulaC65H39N3
Molecular Weight862.05 g/mol
Exact Mass861.31
IUPAC Name12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole
SMILESC1=C(c2cc3ccc4cccc5ccc(c2)c3c45)NC(c2cc3ccc4cccc5ccc(c2)c3c45)C=C1n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccc4ccccc4c3)c21
InChIInChI=1S/C65H39N3/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/h1-37,55,66H
InChIKeyUGFUPCYKGVVFLM-UHFFFAOYSA-N
XLogP17.07
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.05
LogP ≤ 517.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole?
The IUPAC name of 12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole (CID 129209793) is 12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole is C1=C(c2cc3ccc4cccc5ccc(c2)c3c45)NC(c2cc3ccc4cccc5ccc(c2)c3c45)C=C1n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccc4ccccc4c3)c21.
What is the InChIKey of 12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole?
The InChIKey is UGFUPCYKGVVFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N3/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/h1-37,55,66H.
What are the key properties of 12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole?
12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole has a molecular weight of 862.05 g/mol, XLogP of 17.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2,6-di(pyren-2-yl)-1,2-dihydropyridin-4-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole is sourced from PubChem (CID 129209793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).