N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine

C53H35NO — CID 167143415

IUPACN-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc3oc4c5ccccc5c(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4c3c2)cc1
InChIInChI=1S/C53H35NO/c1-5-17-36(18-6-1)37-29-32-51-46(33-37)47-35-50(44-26-13-14-27-45(44)52(47)55-51)54(40-23-11-4-12-24-40)41-30-31-43-42-25-15-16-28-48(42)53(49(43)34-41,38-19-7-2-8-20-38)39-21-9-3-10-22-39/h1-35H
InChIKeyZEYCFIQFDAHAOR-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.24
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine

N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 167143415) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
PubChem CID167143415
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc3oc4c5ccccc5c(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4c3c2)cc1
InChIInChI=1S/C53H35NO/c1-5-17-36(18-6-1)37-29-32-51-46(33-37)47-35-50(44-26-13-14-27-45(44)52(47)55-51)54(40-23-11-4-12-24-40)41-30-31-43-42-25-15-16-28-48(42)53(49(43)34-41,38-19-7-2-8-20-38)39-21-9-3-10-22-39/h1-35H
InChIKeyZEYCFIQFDAHAOR-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

N,8-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 139384360
N-(9,9-diphenylfluoren-2-yl)-7,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171752062
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 135195874
N,N-bis(9,9-diphenylfluoren-2-yl)-7-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-1-yl-N,N-bis(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
CID 157344365
N-(9,9-diphenylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050339
N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 122675393
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158287693
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168805215
8-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167143670
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline
CID 67964184
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423223

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine (CID 167143415) is N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2ccc3oc4c5ccccc5c(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4c3c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is ZEYCFIQFDAHAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-5-17-36(18-6-1)37-29-32-51-46(33-37)47-35-50(44-26-13-14-27-45(44)52(47)55-51)54(40-23-11-4-12-24-40)41-30-31-43-42-25-15-16-28-48(42)53(49(43)34-41,38-19-7-2-8-20-38)39-21-9-3-10-22-39/h1-35H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine?
N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-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-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 167143415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).