3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline

C33H27NO — CID 142380719

IUPAC3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(N)cc(-c4cccc5c6c(oc45)=CCCC=6)c3)cc21
InChIInChI=1S/C33H27NO/c1-33(2)29-12-5-3-8-25(29)26-15-14-20(19-30(26)33)21-16-22(18-23(34)17-21)24-10-7-11-28-27-9-4-6-13-31(27)35-32(24)28/h3,5,7-19H,4,6,34H2,1-2H3
InChIKeyYVLNBOOIODDGGC-UHFFFAOYSA-N
MW453.59 g/mol
LogP7.01
Rot. Bonds2

About 3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline

3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline (PubChem CID 142380719) has the molecular formula C33H27NO and a molecular weight of 453.59 g/mol. Its IUPAC name is 3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline.

Molecular Properties

Compound Name3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline
PubChem CID142380719
Molecular FormulaC33H27NO
Molecular Weight453.59 g/mol
Exact Mass453.21
IUPAC Name3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(N)cc(-c4cccc5c6c(oc45)=CCCC=6)c3)cc21
InChIInChI=1S/C33H27NO/c1-33(2)29-12-5-3-8-25(29)26-15-14-20(19-30(26)33)21-16-22(18-23(34)17-21)24-10-7-11-28-27-9-4-6-13-31(27)35-32(24)28/h3,5,7-19H,4,6,34H2,1-2H3
InChIKeyYVLNBOOIODDGGC-UHFFFAOYSA-N
XLogP7.01
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene
CID 142380718
6-[9,9-dimethyl-6-(4-methylphenyl)fluoren-2-yl]-2,3-dihydrodibenzofuran
CID 156827136
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]
CID 143809004
7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 118145607
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735

Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline?
The IUPAC name of 3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline (CID 142380719) is 3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline.
What is the SMILES notation for 3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline?
The canonical SMILES for 3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline is CC1(C)c2ccccc2-c2ccc(-c3cc(N)cc(-c4cccc5c6c(oc45)=CCCC=6)c3)cc21.
What is the InChIKey of 3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline?
The InChIKey is YVLNBOOIODDGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO/c1-33(2)29-12-5-3-8-25(29)26-15-14-20(19-30(26)33)21-16-22(18-23(34)17-21)24-10-7-11-28-27-9-4-6-13-31(27)35-32(24)28/h3,5,7-19H,4,6,34H2,1-2H3.
What are the key properties of 3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline?
3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline has a molecular weight of 453.59 g/mol, XLogP of 7.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline is sourced from PubChem (CID 142380719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).