6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine

C42H27NO — CID 171730522

IUPAC6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCc1cc2ccccc2c2c1oc1c(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc12
InChIInChI=1S/C42H27NO/c1-25-24-26-12-2-3-13-27(26)38-31-17-10-23-37(41(31)44-40(25)38)43-36-22-11-21-35-39(36)30-16-6-9-20-34(30)42(35)32-18-7-4-14-28(32)29-15-5-8-19-33(29)42/h2-24,43H,1H3
InChIKeyCBRUANDKAJPCHC-UHFFFAOYSA-N
MW561.68 g/mol
LogP11.13
Rot. Bonds2

About 6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine

6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 171730522) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is 6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID171730522
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC Name6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCc1cc2ccccc2c2c1oc1c(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc12
InChIInChI=1S/C42H27NO/c1-25-24-26-12-2-3-13-27(26)38-31-17-10-23-37(41(31)44-40(25)38)43-36-22-11-21-35-39(36)30-16-6-9-20-34(30)42(35)32-18-7-4-14-28(32)29-15-5-8-19-33(29)42/h2-24,43H,1H3
InChIKeyCBRUANDKAJPCHC-UHFFFAOYSA-N
XLogP11.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 511.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 172545038
N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine
CID 177114189
8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172545015
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730668
10,14-dimethyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 169260861
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine
CID 172544930
N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 126561028
N-(9,9-dimethylfluoren-4-yl)-6-phenyldibenzofuran-4-amine
CID 172544973
N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844263
8-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444448
N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine
CID 172544870
7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-1-amine
CID 118487061

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of 6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine (CID 171730522) is 6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for 6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for 6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine is Cc1cc2ccccc2c2c1oc1c(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc12.
What is the InChIKey of 6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is CBRUANDKAJPCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-25-24-26-12-2-3-13-27(26)38-31-17-10-23-37(41(31)44-40(25)38)43-36-22-11-21-35-39(36)30-16-6-9-20-34(30)42(35)32-18-7-4-14-28(32)29-15-5-8-19-33(29)42/h2-24,43H,1H3.
What are the key properties of 6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 561.68 g/mol, XLogP of 11.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 171730522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).