N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine

C53H33NO — CID 171444420

IUPACN-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2cc3ccccc3c3c2oc2ccccc23)cc1
InChIInChI=1S/C53H33NO/c1-2-16-34(17-3-1)37-19-9-14-28-48(37)54(49-32-35-18-4-5-20-38(35)51-42-24-10-15-29-50(42)55-52(49)51)36-30-31-47-43(33-36)41-23-8-13-27-46(41)53(47)44-25-11-6-21-39(44)40-22-7-12-26-45(40)53/h1-33H
InChIKeyHIYAUDYJTDLQKD-UHFFFAOYSA-N
MW699.85 g/mol
LogP14.22
Rot. Bonds4

About N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine

N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine (PubChem CID 171444420) has the molecular formula C53H33NO and a molecular weight of 699.85 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine
PubChem CID171444420
Molecular FormulaC53H33NO
Molecular Weight699.85 g/mol
Exact Mass699.26
IUPAC NameN-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2cc3ccccc3c3c2oc2ccccc23)cc1
InChIInChI=1S/C53H33NO/c1-2-16-34(17-3-1)37-19-9-14-28-48(37)54(49-32-35-18-4-5-20-38(35)51-42-24-10-15-29-50(42)55-52(49)51)36-30-31-47-43(33-36)41-23-8-13-27-46(41)53(47)44-25-11-6-21-39(44)40-22-7-12-26-45(40)53/h1-33H
InChIKeyHIYAUDYJTDLQKD-UHFFFAOYSA-N
XLogP14.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.85
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444490
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 170030751
N-dibenzofuran-1-yl-N-(2-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-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130465181
8-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444448
N-dibenzofuran-3-yl-N-(2-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 130463123
N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 168807381
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N,N-bis(2-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]-11'-amine
CID 130463062
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444535
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296074
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308754

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine (CID 171444420) is N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2cc3ccccc3c3c2oc2ccccc23)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine?
The InChIKey is HIYAUDYJTDLQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NO/c1-2-16-34(17-3-1)37-19-9-14-28-48(37)54(49-32-35-18-4-5-20-38(35)51-42-24-10-15-29-50(42)55-52(49)51)36-30-31-47-43(33-36)41-23-8-13-27-46(41)53(47)44-25-11-6-21-39(44)40-22-7-12-26-45(40)53/h1-33H.
What are the key properties of N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine?
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine has a molecular weight of 699.85 g/mol, XLogP of 14.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine is sourced from PubChem (CID 171444420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).