12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine

C61H39NO — CID 171402026

IUPAC12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc6c(c(-c7ccccc7)c5c4c3)-c3ccccc3C63c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C61H39NO/c1-4-16-40(17-5-1)42-28-32-45(33-29-42)62(46-34-30-43(31-35-46)41-18-6-2-7-19-41)47-36-37-56-51(38-47)60-57(63-56)39-55-59(58(60)44-20-8-3-9-21-44)50-24-12-15-27-54(50)61(55)52-25-13-10-22-48(52)49-23-11-14-26-53(49)61/h1-39H
InChIKeyUOXPZHWSZWHUJW-UHFFFAOYSA-N
MW801.99 g/mol
LogP16.40
Rot. Bonds6

About 12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine

12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine (PubChem CID 171402026) has the molecular formula C61H39NO and a molecular weight of 801.99 g/mol. Its IUPAC name is 12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine.

Molecular Properties

Compound Name12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine
PubChem CID171402026
Molecular FormulaC61H39NO
Molecular Weight801.99 g/mol
Exact Mass801.30
IUPAC Name12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc6c(c(-c7ccccc7)c5c4c3)-c3ccccc3C63c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C61H39NO/c1-4-16-40(17-5-1)42-28-32-45(33-29-42)62(46-34-30-43(31-35-46)41-18-6-2-7-19-41)47-36-37-56-51(38-47)60-57(63-56)39-55-59(58(60)44-20-8-3-9-21-44)50-24-12-15-27-54(50)61(55)52-25-13-10-22-48(52)49-23-11-14-26-53(49)61/h1-39H
InChIKeyUOXPZHWSZWHUJW-UHFFFAOYSA-N
XLogP16.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine with MolForge

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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,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
CID 171401856
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
4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 177130904
N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163432313
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
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
N,N-diphenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-5-amine
CID 162771284
CID 171402038
CID 171402038
N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578

Frequently Asked Questions

What is the IUPAC name of 12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine?
The IUPAC name of 12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine (CID 171402026) is 12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine.
What is the SMILES notation for 12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine?
The canonical SMILES for 12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc6c(c(-c7ccccc7)c5c4c3)-c3ccccc3C63c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine?
The InChIKey is UOXPZHWSZWHUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO/c1-4-16-40(17-5-1)42-28-32-45(33-29-42)62(46-34-30-43(31-35-46)41-18-6-2-7-19-41)47-36-37-56-51(38-47)60-57(63-56)39-55-59(58(60)44-20-8-3-9-21-44)50-24-12-15-27-54(50)61(55)52-25-13-10-22-48(52)49-23-11-14-26-53(49)61/h1-39H.
What are the key properties of 12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine?
12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine has a molecular weight of 801.99 g/mol, XLogP of 16.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine is sourced from PubChem (CID 171402026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).