N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine

C65H41NO — CID 169295352

IUPACN,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc34)cc2)cc1
InChIInChI=1S/C65H41NO/c1-3-15-42(16-4-1)44-27-29-46(30-28-44)63-51-20-8-7-19-47(51)39-57-56-38-36-50(41-62(56)67-64(57)63)66(48-33-31-45(32-34-48)43-17-5-2-6-18-43)49-35-37-55-54-23-11-14-26-60(54)65(61(55)40-49)58-24-12-9-21-52(58)53-22-10-13-25-59(53)65/h1-41H
InChIKeyBEOBKXODYMDMNR-UHFFFAOYSA-N
MW852.05 g/mol
LogP17.55
Rot. Bonds6

About N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine

N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169295352) has the molecular formula C65H41NO and a molecular weight of 852.05 g/mol. Its IUPAC name is N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169295352
Molecular FormulaC65H41NO
Molecular Weight852.05 g/mol
Exact Mass851.32
IUPAC NameN,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc34)cc2)cc1
InChIInChI=1S/C65H41NO/c1-3-15-42(16-4-1)44-27-29-46(30-28-44)63-51-20-8-7-19-47(51)39-57-56-38-36-50(41-62(56)67-64(57)63)66(48-33-31-45(32-34-48)43-17-5-2-6-18-43)49-35-37-55-54-23-11-14-26-60(54)65(61(55)40-49)58-24-12-9-21-52(58)53-22-10-13-25-59(53)65/h1-41H
InChIKeyBEOBKXODYMDMNR-UHFFFAOYSA-N
XLogP17.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.05
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296213
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
7-N,19-N-bis(4-phenylphenyl)-7-N,19-N-bis(9,9'-spirobi[fluorene]-2-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303332
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
CID 169295813
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline
CID 169295916
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295604
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
6-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295605

Frequently Asked Questions

What is the IUPAC name of N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine (CID 169295352) is N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine is c1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc34)cc2)cc1.
What is the InChIKey of N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is BEOBKXODYMDMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NO/c1-3-15-42(16-4-1)44-27-29-46(30-28-44)63-51-20-8-7-19-47(51)39-57-56-38-36-50(41-62(56)67-64(57)63)66(48-33-31-45(32-34-48)43-17-5-2-6-18-43)49-35-37-55-54-23-11-14-26-60(54)65(61(55)40-49)58-24-12-9-21-52(58)53-22-10-13-25-59(53)65/h1-41H.
What are the key properties of N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 852.05 g/mol, XLogP of 17.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169295352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).