N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine

C53H35NO — CID 126701110

IUPACN-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3cccc4c3ccc3oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C53H35NO/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)54(49-24-13-21-45-44(49)34-35-51-52(45)46-20-9-12-25-50(46)55-51)41-32-28-39(29-33-41)53(38-16-5-2-6-17-38)47-22-10-7-18-42(47)43-19-8-11-23-48(43)53/h1-35H
InChIKeyBIVIGAGIIZFMJC-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.24
Rot. Bonds6

About N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine

N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine (PubChem CID 126701110) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
PubChem CID126701110
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3cccc4c3ccc3oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C53H35NO/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)54(49-24-13-21-45-44(49)34-35-51-52(45)46-20-9-12-25-50(46)55-51)41-32-28-39(29-33-41)53(38-16-5-2-6-17-38)47-22-10-7-18-42(47)43-19-8-11-23-48(43)53/h1-35H
InChIKeyBIVIGAGIIZFMJC-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-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280645
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 135195874
4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 135195814
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
N-[3-(9-phenylfluoren-9-yl)phenyl]-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281054
N,8-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 139384360
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176759858
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 160590087
N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 122675393

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
The IUPAC name of N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine (CID 126701110) is N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine.
What is the SMILES notation for N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
The canonical SMILES for N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3cccc4c3ccc3oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
The InChIKey is BIVIGAGIIZFMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)54(49-24-13-21-45-44(49)34-35-51-52(45)46-20-9-12-25-50(46)55-51)41-32-28-39(29-33-41)53(38-16-5-2-6-17-38)47-22-10-7-18-42(47)43-19-8-11-23-48(43)53/h1-35H.
What are the key properties of N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-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-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine is sourced from PubChem (CID 126701110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).