N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine

C41H27NO — CID 175980983

IUPACN,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine
SMILESc1ccc(Nc2ccc3c(c2)C2(c4ccc(-c5ccccc5)cc4-c4cc(-c5ccccc5)ccc42)c2occc2-3)cc1
InChIInChI=1S/C41H27NO/c1-4-10-27(11-5-1)29-16-20-37-35(24-29)36-25-30(28-12-6-2-7-13-28)17-21-38(36)41(37)39-26-32(42-31-14-8-3-9-15-31)18-19-33(39)34-22-23-43-40(34)41/h1-26,42H
InChIKeyWYPUELKCNLSULR-UHFFFAOYSA-N
MW549.67 g/mol
LogP10.70
Rot. Bonds4

About N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine

N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine (PubChem CID 175980983) has the molecular formula C41H27NO and a molecular weight of 549.67 g/mol. Its IUPAC name is N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine.

Molecular Properties

Compound NameN,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine
PubChem CID175980983
Molecular FormulaC41H27NO
Molecular Weight549.67 g/mol
Exact Mass549.21
IUPAC NameN,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine
SMILESc1ccc(Nc2ccc3c(c2)C2(c4ccc(-c5ccccc5)cc4-c4cc(-c5ccccc5)ccc42)c2occc2-3)cc1
InChIInChI=1S/C41H27NO/c1-4-10-27(11-5-1)29-16-20-37-35(24-29)36-25-30(28-12-6-2-7-13-28)17-21-38(36)41(37)39-26-32(42-31-14-8-3-9-15-31)18-19-33(39)34-22-23-43-40(34)41/h1-26,42H
InChIKeyWYPUELKCNLSULR-UHFFFAOYSA-N
XLogP10.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 510.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 166714648
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine
CID 166653983
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506

Frequently Asked Questions

What is the IUPAC name of N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine?
The IUPAC name of N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine (CID 175980983) is N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine.
What is the SMILES notation for N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine?
The canonical SMILES for N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine is c1ccc(Nc2ccc3c(c2)C2(c4ccc(-c5ccccc5)cc4-c4cc(-c5ccccc5)ccc42)c2occc2-3)cc1.
What is the InChIKey of N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine?
The InChIKey is WYPUELKCNLSULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27NO/c1-4-10-27(11-5-1)29-16-20-37-35(24-29)36-25-30(28-12-6-2-7-13-28)17-21-38(36)41(37)39-26-32(42-31-14-8-3-9-15-31)18-19-33(39)34-22-23-43-40(34)41/h1-26,42H.
What are the key properties of N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine?
N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine has a molecular weight of 549.67 g/mol, XLogP of 10.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine is sourced from PubChem (CID 175980983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).