13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine

C48H35BrN2O2 — CID 126748979

IUPAC13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine
SMILESCC1(C)c2ccccc2N(c2cc(Br)cc(N3c4ccccc4C(C)(C)c4ccc5c(oc6ccccc65)c43)c2)c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C48H35BrN2O2/c1-47(2)35-15-7-9-17-39(35)50(43-37(47)23-21-33-31-13-5-11-19-41(31)52-45(33)43)29-25-28(49)26-30(27-29)51-40-18-10-8-16-36(40)48(3,4)38-24-22-34-32-14-6-12-20-42(32)53-46(34)44(38)51/h5-27H,1-4H3
InChIKeyFPIYDACNTBKDTD-UHFFFAOYSA-N
MW751.72 g/mol
LogP14.47
Rot. Bonds2

About 13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine

13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine (PubChem CID 126748979) has the molecular formula C48H35BrN2O2 and a molecular weight of 751.72 g/mol. Its IUPAC name is 13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine.

Molecular Properties

Compound Name13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine
PubChem CID126748979
Molecular FormulaC48H35BrN2O2
Molecular Weight751.72 g/mol
Exact Mass750.19
IUPAC Name13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine
SMILESCC1(C)c2ccccc2N(c2cc(Br)cc(N3c4ccccc4C(C)(C)c4ccc5c(oc6ccccc65)c43)c2)c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C48H35BrN2O2/c1-47(2)35-15-7-9-17-39(35)50(43-37(47)23-21-33-31-13-5-11-19-41(31)52-45(33)43)29-25-28(49)26-30(27-29)51-40-18-10-8-16-36(40)48(3,4)38-24-22-34-32-14-6-12-20-42(32)53-46(34)44(38)51/h5-27H,1-4H3
InChIKeyFPIYDACNTBKDTD-UHFFFAOYSA-N
XLogP14.47
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.72
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine?
The IUPAC name of 13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine (CID 126748979) is 13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine.
What is the SMILES notation for 13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine?
The canonical SMILES for 13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine is CC1(C)c2ccccc2N(c2cc(Br)cc(N3c4ccccc4C(C)(C)c4ccc5c(oc6ccccc65)c43)c2)c2c1ccc1c2oc2ccccc21.
What is the InChIKey of 13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine?
The InChIKey is FPIYDACNTBKDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35BrN2O2/c1-47(2)35-15-7-9-17-39(35)50(43-37(47)23-21-33-31-13-5-11-19-41(31)52-45(33)43)29-25-28(49)26-30(27-29)51-40-18-10-8-16-36(40)48(3,4)38-24-22-34-32-14-6-12-20-42(32)53-46(34)44(38)51/h5-27H,1-4H3.
What are the key properties of 13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine?
13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine has a molecular weight of 751.72 g/mol, XLogP of 14.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[3-bromo-5-(5,5-dimethyl-[1]benzofuro[3,2-c]acridin-13-yl)phenyl]-5,5-dimethyl-[1]benzofuro[3,2-c]acridine is sourced from PubChem (CID 126748979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).