N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine

C49H31NO — CID 171401856

IUPACN,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
SMILESc1ccc(-c2c3c(cc4oc5ccccc5c24)C2(c4ccccc4-c4ccccc42)c2ccc(N(c4ccccc4)c4ccccc4)cc2-3)cc1
InChIInChI=1S/C49H31NO/c1-4-16-32(17-5-1)46-47-39-30-35(50(33-18-6-2-7-19-33)34-20-8-3-9-21-34)28-29-42(39)49(40-25-13-10-22-36(40)37-23-11-14-26-41(37)49)43(47)31-45-48(46)38-24-12-15-27-44(38)51-45/h1-31H
InChIKeyRGFKWWGPVRMAPB-UHFFFAOYSA-N
MW649.79 g/mol
LogP13.07
Rot. Bonds4

About N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine

N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine (PubChem CID 171401856) has the molecular formula C49H31NO and a molecular weight of 649.79 g/mol. Its IUPAC name is N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine.

Molecular Properties

Compound NameN,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
PubChem CID171401856
Molecular FormulaC49H31NO
Molecular Weight649.79 g/mol
Exact Mass649.24
IUPAC NameN,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
SMILESc1ccc(-c2c3c(cc4oc5ccccc5c24)C2(c4ccccc4-c4ccccc42)c2ccc(N(c4ccccc4)c4ccccc4)cc2-3)cc1
InChIInChI=1S/C49H31NO/c1-4-16-32(17-5-1)46-47-39-30-35(50(33-18-6-2-7-19-33)34-20-8-3-9-21-34)28-29-42(39)49(40-25-13-10-22-36(40)37-23-11-14-26-41(37)49)43(47)31-45-48(46)38-24-12-15-27-44(38)51-45/h1-31H
InChIKeyRGFKWWGPVRMAPB-UHFFFAOYSA-N
XLogP13.07
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.79
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
CID 171401543
N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine
CID 171401702
12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine
CID 171402026
N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine
CID 171402013
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-9-amine
CID 171401843
7'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504195
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 171402240
7,7-dimethyl-N-naphthalen-2-yl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-10-amine
CID 171401698
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463127
3-N'-dibenzofuran-3-yl-3-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775076
5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775418

Frequently Asked Questions

What is the IUPAC name of N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine?
The IUPAC name of N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine (CID 171401856) is N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine.
What is the SMILES notation for N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine?
The canonical SMILES for N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine is c1ccc(-c2c3c(cc4oc5ccccc5c24)C2(c4ccccc4-c4ccccc42)c2ccc(N(c4ccccc4)c4ccccc4)cc2-3)cc1.
What is the InChIKey of N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine?
The InChIKey is RGFKWWGPVRMAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO/c1-4-16-32(17-5-1)46-47-39-30-35(50(33-18-6-2-7-19-33)34-20-8-3-9-21-34)28-29-42(39)49(40-25-13-10-22-36(40)37-23-11-14-26-41(37)49)43(47)31-45-48(46)38-24-12-15-27-44(38)51-45/h1-31H.
What are the key properties of N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine?
N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine has a molecular weight of 649.79 g/mol, XLogP of 13.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine is sourced from PubChem (CID 171401856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).