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9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole

C52H37N3 — CID 156577219

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole
SMILESc1ccc2c(c1)-c1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc4ccccc4nc3-c3ccc4ccccc4c3)ccc1C21C2CC3CC4CC1C42C3
InChIInChI=1S/C52H37N3/c1-2-10-32-25-35(18-17-31(32)9-1)49-50(54-44-15-7-6-14-43(44)53-49)55-45-16-8-4-12-38(45)40-27-34(20-22-46(40)55)33-19-21-42-39(26-33)37-11-3-5-13-41(37)52(42)47-24-30-23-36-28-48(52)51(36,47)29-30/h1-22,25-27,30,36,47-48H,23-24,28-29H2
InChIKeyDPLIEZIWWFIQPT-UHFFFAOYSA-N
MW703.89 g/mol
LogP12.55
Rot. Bonds3

About 9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole

9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole (PubChem CID 156577219) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole.

Molecular Properties

Compound Name9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole
PubChem CID156577219
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC Name9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole
SMILESc1ccc2c(c1)-c1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc4ccccc4nc3-c3ccc4ccccc4c3)ccc1C21C2CC3CC4CC1C42C3
InChIInChI=1S/C52H37N3/c1-2-10-32-25-35(18-17-31(32)9-1)49-50(54-44-15-7-6-14-43(44)53-49)55-45-16-8-4-12-38(45)40-27-34(20-22-46(40)55)33-19-21-42-39(26-33)37-11-3-5-13-41(37)52(42)47-24-30-23-36-28-48(52)51(36,47)29-30/h1-22,25-27,30,36,47-48H,23-24,28-29H2
InChIKeyDPLIEZIWWFIQPT-UHFFFAOYSA-N
XLogP12.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole?
The IUPAC name of 9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole (CID 156577219) is 9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole.
What is the SMILES notation for 9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole?
The canonical SMILES for 9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole is c1ccc2c(c1)-c1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc4ccccc4nc3-c3ccc4ccccc4c3)ccc1C21C2CC3CC4CC1C42C3.
What is the InChIKey of 9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole?
The InChIKey is DPLIEZIWWFIQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-2-10-32-25-35(18-17-31(32)9-1)49-50(54-44-15-7-6-14-43(44)53-49)55-45-16-8-4-12-38(45)40-27-34(20-22-46(40)55)33-19-21-42-39(26-33)37-11-3-5-13-41(37)52(42)47-24-30-23-36-28-48(52)51(36,47)29-30/h1-22,25-27,30,36,47-48H,23-24,28-29H2.
What are the key properties of 9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole?
9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole has a molecular weight of 703.89 g/mol, XLogP of 12.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-naphthalen-2-ylquinoxalin-2-yl)-3-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazole is sourced from PubChem (CID 156577219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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