N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine

C49H29NO2 — CID 171799147

IUPACN-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2c3c(cc4c2oc2ccccc24)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C49H29NO2/c1-2-14-30(15-3-1)50(31-26-27-45-37(28-31)35-19-7-12-24-43(35)51-45)47-46-38(29-39-36-20-8-13-25-44(36)52-48(39)47)34-18-6-11-23-42(34)49(46)40-21-9-4-16-32(40)33-17-5-10-22-41(33)49/h1-29H
InChIKeyOBMOKXMOKDBEBF-UHFFFAOYSA-N
MW663.78 g/mol
LogP13.30
Rot. Bonds3

About N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine

N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine (PubChem CID 171799147) has the molecular formula C49H29NO2 and a molecular weight of 663.78 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine
PubChem CID171799147
Molecular FormulaC49H29NO2
Molecular Weight663.78 g/mol
Exact Mass663.22
IUPAC NameN-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2c3c(cc4c2oc2ccccc24)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C49H29NO2/c1-2-14-30(15-3-1)50(31-26-27-45-37(28-31)35-19-7-12-24-43(35)51-45)47-46-38(29-39-36-20-8-13-25-44(36)52-48(39)47)34-18-6-11-23-42(34)49(46)40-21-9-4-16-32(40)33-17-5-10-22-41(33)49/h1-29H
InChIKeyOBMOKXMOKDBEBF-UHFFFAOYSA-N
XLogP13.30
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 90277788
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529776
N,N-diphenyldibenzofuran-2-amine
CID 58038469
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723
N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 169022132
N-(4-phenylphenyl)-N-(2'-phenyl-9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 129259116
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
2-N-dibenzofuran-2-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791616

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine (CID 171799147) is N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine is c1ccc(N(c2ccc3oc4ccccc4c3c2)c2c3c(cc4c2oc2ccccc24)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine?
The InChIKey is OBMOKXMOKDBEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO2/c1-2-14-30(15-3-1)50(31-26-27-45-37(28-31)35-19-7-12-24-43(35)51-45)47-46-38(29-39-36-20-8-13-25-44(36)52-48(39)47)34-18-6-11-23-42(34)49(46)40-21-9-4-16-32(40)33-17-5-10-22-41(33)49/h1-29H.
What are the key properties of N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine?
N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine has a molecular weight of 663.78 g/mol, XLogP of 13.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-phenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-amine is sourced from PubChem (CID 171799147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).