N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C51H30N2O2S — CID 177082295

IUPACN-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)sc3cccc(-c5nc6c(ccc7ccccc76)o5)c34)c3ccc4oc5c6ccccc6ccc5c4c3)c2)cc1
InChIInChI=1S/C51H30N2O2S/c1-2-10-31(11-3-1)34-14-8-15-35(28-34)53(36-23-27-44-43(29-36)40-24-20-33-13-5-7-17-39(33)50(40)54-44)37-22-25-41-47(30-37)56-46-19-9-18-42(48(41)46)51-52-49-38-16-6-4-12-32(38)21-26-45(49)55-51/h1-30H
InChIKeyHHAWYXZRVQHCHS-UHFFFAOYSA-N
MW734.88 g/mol
LogP15.21
Rot. Bonds5

About N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 177082295) has the molecular formula C51H30N2O2S and a molecular weight of 734.88 g/mol. Its IUPAC name is N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID177082295
Molecular FormulaC51H30N2O2S
Molecular Weight734.88 g/mol
Exact Mass734.20
IUPAC NameN-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)sc3cccc(-c5nc6c(ccc7ccccc76)o5)c34)c3ccc4oc5c6ccccc6ccc5c4c3)c2)cc1
InChIInChI=1S/C51H30N2O2S/c1-2-10-31(11-3-1)34-14-8-15-35(28-34)53(36-23-27-44-43(29-36)40-24-20-33-13-5-7-17-39(33)50(40)54-44)37-22-25-41-47(30-37)56-46-19-9-18-42(48(41)46)51-52-49-38-16-6-4-12-32(38)21-26-45(49)55-51/h1-30H
InChIKeyHHAWYXZRVQHCHS-UHFFFAOYSA-N
XLogP15.21
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.88
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzo[e][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177081450
9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-2-yl-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 177082399
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081277
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082409
9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177081908
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170039350
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 163507198
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 167331126
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 163799851
3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167329579
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081271
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330248

Frequently Asked Questions

What is the IUPAC name of N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 177082295) is N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)sc3cccc(-c5nc6c(ccc7ccccc76)o5)c34)c3ccc4oc5c6ccccc6ccc5c4c3)c2)cc1.
What is the InChIKey of N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is HHAWYXZRVQHCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2O2S/c1-2-10-31(11-3-1)34-14-8-15-35(28-34)53(36-23-27-44-43(29-36)40-24-20-33-13-5-7-17-39(33)50(40)54-44)37-22-25-41-47(30-37)56-46-19-9-18-42(48(41)46)51-52-49-38-16-6-4-12-32(38)21-26-45(49)55-51/h1-30H.
What are the key properties of N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 734.88 g/mol, XLogP of 15.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 177082295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).