7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine

C45H33NO — CID 134392920

IUPAC7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine
SMILESCC1(C)c2cc3oc4ccccc4c3cc2-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/C45H33NO/c1-45(2)40-29-43-39(36-22-9-10-25-42(36)47-43)28-38(40)37-23-13-24-41(44(37)45)46(34-20-11-18-32(26-34)30-14-5-3-6-15-30)35-21-12-19-33(27-35)31-16-7-4-8-17-31/h3-29H,1-2H3
InChIKeyWPHHMSBNFNOJFL-UHFFFAOYSA-N
MW603.77 g/mol
LogP12.70
Rot. Bonds5

About 7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine

7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine (PubChem CID 134392920) has the molecular formula C45H33NO and a molecular weight of 603.77 g/mol. Its IUPAC name is 7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine
PubChem CID134392920
Molecular FormulaC45H33NO
Molecular Weight603.77 g/mol
Exact Mass603.26
IUPAC Name7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine
SMILESCC1(C)c2cc3oc4ccccc4c3cc2-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/C45H33NO/c1-45(2)40-29-43-39(36-22-9-10-25-42(36)47-43)28-38(40)37-23-13-24-41(44(37)45)46(34-20-11-18-32(26-34)30-14-5-3-6-15-30)35-21-12-19-33(27-35)31-16-7-4-8-17-31/h3-29H,1-2H3
InChIKeyWPHHMSBNFNOJFL-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.77
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 167323880
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;methane
CID 160895510
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183
7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine
CID 176583411
N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462998
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631
9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)fluoren-1-amine
CID 168807505
N-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161197514
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
CID 176583446
N-(11,11-dimethylbenzo[a]fluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 148507148

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine?
The IUPAC name of 7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine (CID 134392920) is 7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine.
What is the SMILES notation for 7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine?
The canonical SMILES for 7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine is CC1(C)c2cc3oc4ccccc4c3cc2-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c21.
What is the InChIKey of 7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine?
The InChIKey is WPHHMSBNFNOJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NO/c1-45(2)40-29-43-39(36-22-9-10-25-42(36)47-43)28-38(40)37-23-13-24-41(44(37)45)46(34-20-11-18-32(26-34)30-14-5-3-6-15-30)35-21-12-19-33(27-35)31-16-7-4-8-17-31/h3-29H,1-2H3.
What are the key properties of 7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine?
7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine has a molecular weight of 603.77 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N,N-bis(3-phenylphenyl)fluoreno[7,6-b][1]benzofuran-8-amine is sourced from PubChem (CID 134392920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).