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

C46H29NOS — CID 177131025

IUPACN-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccc5cccc(-c6ccccc6)c5c34)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-3-11-30(12-4-1)31-21-24-34(25-22-31)47(40-19-10-18-38-37-16-7-8-20-43(37)49-46(38)40)35-26-27-39-42(29-35)48-41-28-23-33-15-9-17-36(44(33)45(39)41)32-13-5-2-6-14-32/h1-29H
InChIKeyZMWQOADKGRESEQ-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

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

N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 177131025) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID177131025
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccc5cccc(-c6ccccc6)c5c34)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-3-11-30(12-4-1)31-21-24-34(25-22-31)47(40-19-10-18-38-37-16-7-8-20-43(37)49-46(38)40)35-26-27-39-42(29-35)48-41-28-23-33-15-9-17-36(44(33)45(39)41)32-13-5-2-6-14-32/h1-29H
InChIKeyZMWQOADKGRESEQ-UHFFFAOYSA-N
XLogP13.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
N,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450
N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 158680802
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166938730
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300504
6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158840714
N-[4-(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-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 164974665
9-N-dibenzothiophen-4-yl-11-N-phenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856138
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 164949044
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 161336699
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164990906

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 177131025) is N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccc5cccc(-c6ccccc6)c5c34)c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is ZMWQOADKGRESEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-3-11-30(12-4-1)31-21-24-34(25-22-31)47(40-19-10-18-38-37-16-7-8-20-43(37)49-46(38)40)35-26-27-39-42(29-35)48-41-28-23-33-15-9-17-36(44(33)45(39)41)32-13-5-2-6-14-32/h1-29H.
What are the key properties of N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 643.81 g/mol, XLogP of 13.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 177131025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).