N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine

C53H35NO — CID 176808426

IUPACN-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2cc3oc4ccc(N(c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4c3c3ccccc23)cc1
InChIInChI=1S/C53H35NO/c1-5-18-36(19-6-1)44-35-50-51(42-27-14-13-26-41(42)44)45-34-40(32-33-49(45)55-50)54(39-24-11-4-12-25-39)48-31-17-30-47-52(48)43-28-15-16-29-46(43)53(47,37-20-7-2-8-21-37)38-22-9-3-10-23-38/h1-35H
InChIKeyUFACPCONVPDJTB-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.24
Rot. Bonds6

About N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine

N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 176808426) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine
PubChem CID176808426
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2cc3oc4ccc(N(c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4c3c3ccccc23)cc1
InChIInChI=1S/C53H35NO/c1-5-18-36(19-6-1)44-35-50-51(42-27-14-13-26-41(42)44)45-34-40(32-33-49(45)55-50)54(39-24-11-4-12-25-39)48-31-17-30-47-52(48)43-28-15-16-29-46(43)53(47,37-20-7-2-8-21-37)38-22-9-3-10-23-38/h1-35H
InChIKeyUFACPCONVPDJTB-UHFFFAOYSA-N
XLogP14.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 177130904
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119695
N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170272344
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
CID 164972233
3-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-4-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 155096767
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-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 176760030
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168804523
N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine
CID 155645010
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine (CID 176808426) is N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine is c1ccc(-c2cc3oc4ccc(N(c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4c3c3ccccc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is UFACPCONVPDJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-5-18-36(19-6-1)44-35-50-51(42-27-14-13-26-41(42)44)45-34-40(32-33-49(45)55-50)54(39-24-11-4-12-25-39)48-31-17-30-47-52(48)43-28-15-16-29-46(43)53(47,37-20-7-2-8-21-37)38-22-9-3-10-23-38/h1-35H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine?
N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 701.87 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 176808426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).