8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine

C43H27NO — CID 172545015

IUPAC8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3oc4c(Nc5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cccc4c3c2)cc1
InChIInChI=1S/C43H27NO/c1-2-12-27(13-3-1)28-24-25-40-33(26-28)31-17-10-23-39(42(31)45-40)44-38-22-11-21-37-41(38)32-16-6-9-20-36(32)43(37)34-18-7-4-14-29(34)30-15-5-8-19-35(30)43/h1-26,44H
InChIKeyHUMDNEKOTNFDIT-UHFFFAOYSA-N
MW573.70 g/mol
LogP11.34
Rot. Bonds3

About 8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine

8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine (PubChem CID 172545015) has the molecular formula C43H27NO and a molecular weight of 573.70 g/mol. Its IUPAC name is 8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
PubChem CID172545015
Molecular FormulaC43H27NO
Molecular Weight573.70 g/mol
Exact Mass573.21
IUPAC Name8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3oc4c(Nc5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cccc4c3c2)cc1
InChIInChI=1S/C43H27NO/c1-2-12-27(13-3-1)28-24-25-40-33(26-28)31-17-10-23-39(42(31)45-40)44-38-22-11-21-37-41(38)32-16-6-9-20-36(32)43(37)34-18-7-4-14-29(34)30-15-5-8-19-35(30)43/h1-26,44H
InChIKeyHUMDNEKOTNFDIT-UHFFFAOYSA-N
XLogP11.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 511.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176759708
N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160799139
N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine
CID 177114189
7-dibenzofuran-4-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 163679772
N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 161481736
4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 172545038
7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-1-amine
CID 118487061
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine
CID 172544930
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168805033
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368965
N-dibenzofuran-4-ylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 169305044
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168805215

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine?
The IUPAC name of 8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine (CID 172545015) is 8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine.
What is the SMILES notation for 8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine?
The canonical SMILES for 8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine is c1ccc(-c2ccc3oc4c(Nc5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cccc4c3c2)cc1.
What is the InChIKey of 8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine?
The InChIKey is HUMDNEKOTNFDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO/c1-2-12-27(13-3-1)28-24-25-40-33(26-28)31-17-10-23-39(42(31)45-40)44-38-22-11-21-37-41(38)32-16-6-9-20-36(32)43(37)34-18-7-4-14-29(34)30-15-5-8-19-35(30)43/h1-26,44H.
What are the key properties of 8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine?
8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine has a molecular weight of 573.70 g/mol, XLogP of 11.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine is sourced from PubChem (CID 172545015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).