N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine

C40H28N2O — CID 140917357

IUPACN-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3nc4ccccc4c4ccccc34)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C40H28N2O/c1-40(2)32-17-8-5-13-27(32)28-23-22-25(24-33(28)40)42(35-19-11-21-37-38(35)31-16-7-10-20-36(31)43-37)39-30-15-4-3-12-26(30)29-14-6-9-18-34(29)41-39/h3-24H,1-2H3
InChIKeyWOJGKUNZXBUHMS-UHFFFAOYSA-N
MW552.68 g/mol
LogP11.06
Rot. Bonds3

About N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine

N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine (PubChem CID 140917357) has the molecular formula C40H28N2O and a molecular weight of 552.68 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine
PubChem CID140917357
Molecular FormulaC40H28N2O
Molecular Weight552.68 g/mol
Exact Mass552.22
IUPAC NameN-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3nc4ccccc4c4ccccc34)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C40H28N2O/c1-40(2)32-17-8-5-13-27(32)28-23-22-25(24-33(28)40)42(35-19-11-21-37-38(35)31-16-7-10-20-36(31)43-37)39-30-15-4-3-12-26(30)29-14-6-9-18-34(29)41-39/h3-24H,1-2H3
InChIKeyWOJGKUNZXBUHMS-UHFFFAOYSA-N
XLogP11.06
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-dibenzofuran-1-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301757
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 130263964
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-amine
CID 170353038
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
CID 176785645
3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 161392037
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463071
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)dibenzofuran-1-amine
CID 138484796
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine (CID 140917357) is N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3nc4ccccc4c4ccccc34)c3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine?
The InChIKey is WOJGKUNZXBUHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2O/c1-40(2)32-17-8-5-13-27(32)28-23-22-25(24-33(28)40)42(35-19-11-21-37-38(35)31-16-7-10-20-36(31)43-37)39-30-15-4-3-12-26(30)29-14-6-9-18-34(29)41-39/h3-24H,1-2H3.
What are the key properties of N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine?
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine has a molecular weight of 552.68 g/mol, XLogP of 11.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)phenanthridin-6-amine is sourced from PubChem (CID 140917357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).