N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine

C39H29NO — CID 176760037

IUPACN-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine
SMILESCC1(C)c2cc(Nc3cccc4oc5ccc(-c6ccccc6)cc5c34)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C39H29NO/c1-39(2)32-16-9-15-29(26-13-7-4-8-14-26)37(32)30-21-20-28(24-33(30)39)40-34-17-10-18-36-38(34)31-23-27(19-22-35(31)41-36)25-11-5-3-6-12-25/h3-24,40H,1-2H3
InChIKeyCQVBGFOTVHYIOP-UHFFFAOYSA-N
MW527.67 g/mol
LogP10.97
Rot. Bonds4

About N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine

N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine (PubChem CID 176760037) has the molecular formula C39H29NO and a molecular weight of 527.67 g/mol. Its IUPAC name is N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine
PubChem CID176760037
Molecular FormulaC39H29NO
Molecular Weight527.67 g/mol
Exact Mass527.22
IUPAC NameN-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine
SMILESCC1(C)c2cc(Nc3cccc4oc5ccc(-c6ccccc6)cc5c34)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C39H29NO/c1-39(2)32-16-9-15-29(26-13-7-4-8-14-26)37(32)30-21-20-28(24-33(30)39)40-34-17-10-18-36-38(34)31-23-27(19-22-35(31)41-36)25-11-5-3-6-12-25/h3-24,40H,1-2H3
InChIKeyCQVBGFOTVHYIOP-UHFFFAOYSA-N
XLogP10.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 510.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 139568225
8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176759717
2-[8-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369225
8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176759708
2-dibenzofuran-1-yl-4-[8-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166003049
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177095674
2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166565485
2-dibenzofuran-2-yl-4-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 163722248
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-phenyl-3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 159068873
8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 176760060
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146115
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759880

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine (CID 176760037) is N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine is CC1(C)c2cc(Nc3cccc4oc5ccc(-c6ccccc6)cc5c34)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine?
The InChIKey is CQVBGFOTVHYIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NO/c1-39(2)32-16-9-15-29(26-13-7-4-8-14-26)37(32)30-21-20-28(24-33(30)39)40-34-17-10-18-36-38(34)31-23-27(19-22-35(31)41-36)25-11-5-3-6-12-25/h3-24,40H,1-2H3.
What are the key properties of N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine?
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine has a molecular weight of 527.67 g/mol, XLogP of 10.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176760037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).