N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine

C45H31NO2 — CID 134392923

IUPACN-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)ccc2-c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C45H31NO2/c1-45(2)39-25-32(20-22-33(39)36-26-38-35-13-7-9-15-42(35)48-44(38)27-40(36)45)46(30-18-16-29(17-19-30)28-10-4-3-5-11-28)31-21-23-43-37(24-31)34-12-6-8-14-41(34)47-43/h3-27H,1-2H3
InChIKeyHOJLGCUVDUMNAP-UHFFFAOYSA-N
MW617.75 g/mol
LogP12.93
Rot. Bonds4

About N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine

N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine (PubChem CID 134392923) has the molecular formula C45H31NO2 and a molecular weight of 617.75 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
PubChem CID134392923
Molecular FormulaC45H31NO2
Molecular Weight617.75 g/mol
Exact Mass617.24
IUPAC NameN-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)ccc2-c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C45H31NO2/c1-45(2)39-25-32(20-22-33(39)36-26-38-35-13-7-9-15-42(35)48-44(38)27-40(36)45)46(30-18-16-29(17-19-30)28-10-4-3-5-11-28)31-21-23-43-37(24-31)34-12-6-8-14-41(34)47-43/h3-27H,1-2H3
InChIKeyHOJLGCUVDUMNAP-UHFFFAOYSA-N
XLogP12.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.75
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine?
The IUPAC name of N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine (CID 134392923) is N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine?
The canonical SMILES for N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)ccc2-c2cc3c(cc21)oc1ccccc13.
What is the InChIKey of N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine?
The InChIKey is HOJLGCUVDUMNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO2/c1-45(2)39-25-32(20-22-33(39)36-26-38-35-13-7-9-15-42(35)48-44(38)27-40(36)45)46(30-18-16-29(17-19-30)28-10-4-3-5-11-28)31-21-23-43-37(24-31)34-12-6-8-14-41(34)47-43/h3-27H,1-2H3.
What are the key properties of N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine?
N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine has a molecular weight of 617.75 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine is sourced from PubChem (CID 134392923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).