2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline

C46H32N2 — CID 71106281

IUPAC2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline
SMILESC1=CC2=C(CC1)Cc1cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)cc4)cc3)ccc12
InChIInChI=1S/C46H32N2/c1-3-9-39-35(7-1)27-37-25-33(21-23-41(37)39)29-13-17-31(18-14-29)45-46(48-44-12-6-5-11-43(44)47-45)32-19-15-30(16-20-32)34-22-24-42-38(26-34)28-36-8-2-4-10-40(36)42/h1,3-7,9-26H,2,8,27-28H2
InChIKeyFOSKGEOXODLEOK-UHFFFAOYSA-N
MW612.78 g/mol
LogP11.53
Rot. Bonds4

About 2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline

2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline (PubChem CID 71106281) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline.

Molecular Properties

Compound Name2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline
PubChem CID71106281
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline
SMILESC1=CC2=C(CC1)Cc1cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)cc4)cc3)ccc12
InChIInChI=1S/C46H32N2/c1-3-9-39-35(7-1)27-37-25-33(21-23-41(37)39)29-13-17-31(18-14-29)45-46(48-44-12-6-5-11-43(44)47-45)32-19-15-30(16-20-32)34-22-24-42-38(26-34)28-36-8-2-4-10-40(36)42/h1,3-7,9-26H,2,8,27-28H2
InChIKeyFOSKGEOXODLEOK-UHFFFAOYSA-N
XLogP11.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline?
The IUPAC name of 2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline (CID 71106281) is 2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline.
What is the SMILES notation for 2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline?
The canonical SMILES for 2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline is C1=CC2=C(CC1)Cc1cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)cc4)cc3)ccc12.
What is the InChIKey of 2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline?
The InChIKey is FOSKGEOXODLEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-3-9-39-35(7-1)27-37-25-33(21-23-41(37)39)29-13-17-31(18-14-29)45-46(48-44-12-6-5-11-43(44)47-45)32-19-15-30(16-20-32)34-22-24-42-38(26-34)28-36-8-2-4-10-40(36)42/h1,3-7,9-26H,2,8,27-28H2.
What are the key properties of 2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline?
2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline has a molecular weight of 612.78 g/mol, XLogP of 11.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline is sourced from PubChem (CID 71106281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).