4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

C53H35NO — CID 135195814

IUPAC4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5oc6ccccc6c54)c3)cc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C53H35NO/c1-3-13-39(14-4-1)53(48-20-10-7-17-45(48)46-18-8-11-21-49(46)53)40-27-31-43(32-28-40)54(41-15-5-2-6-16-41)42-29-23-36(24-30-42)37-25-33-44-38(35-37)26-34-51-52(44)47-19-9-12-22-50(47)55-51/h1-35H
InChIKeyZPPQQXZZGUTVIW-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.24
Rot. Bonds6

About 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 135195814) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound Name4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID135195814
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC Name4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5oc6ccccc6c54)c3)cc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C53H35NO/c1-3-13-39(14-4-1)53(48-20-10-7-17-45(48)46-18-8-11-21-49(46)53)40-27-31-43(32-28-40)54(41-15-5-2-6-16-41)42-29-23-36(24-30-42)37-25-33-44-38(35-37)26-34-51-52(44)47-19-9-12-22-50(47)55-51/h1-35H
InChIKeyZPPQQXZZGUTVIW-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-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 118004616
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
N-cyclohexa-1,3-dien-1-yl-4-naphtho[2,1-b][1]benzofuran-3-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 126701115
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176759858
N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline
CID 170030516
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747

Frequently Asked Questions

What is the IUPAC name of 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (CID 135195814) is 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is c1ccc(N(c2ccc(-c3ccc4c(ccc5oc6ccccc6c54)c3)cc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is ZPPQQXZZGUTVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-3-13-39(14-4-1)53(48-20-10-7-17-45(48)46-18-8-11-21-49(46)53)40-27-31-43(32-28-40)54(41-15-5-2-6-16-41)42-29-23-36(24-30-42)37-25-33-44-38(35-37)26-34-51-52(44)47-19-9-12-22-50(47)55-51/h1-35H.
What are the key properties of 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline 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 4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 135195814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).