N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine

C56H35NOS — CID 167397858

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cccc6ccccc56)c5ccccc45)cccc23)cc1
InChIInChI=1S/C56H35NOS/c1-2-13-38(14-3-1)42-21-11-23-49-50-24-12-25-52(56(50)59-55(42)49)57(40-30-27-36(28-31-40)39-29-32-48-47-20-8-9-26-53(47)58-54(48)35-39)51-34-33-45(44-18-6-7-19-46(44)51)43-22-10-16-37-15-4-5-17-41(37)43/h1-35H
InChIKeyHUNDTPCCYVUPCM-UHFFFAOYSA-N
MW769.97 g/mol
LogP16.73
Rot. Bonds6

About N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine

N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine (PubChem CID 167397858) has the molecular formula C56H35NOS and a molecular weight of 769.97 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
PubChem CID167397858
Molecular FormulaC56H35NOS
Molecular Weight769.97 g/mol
Exact Mass769.24
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cccc6ccccc56)c5ccccc45)cccc23)cc1
InChIInChI=1S/C56H35NOS/c1-2-13-38(14-3-1)42-21-11-23-49-50-24-12-25-52(56(50)59-55(42)49)57(40-30-27-36(28-31-40)39-29-32-48-47-20-8-9-26-53(47)58-54(48)35-39)51-34-33-45(44-18-6-7-19-46(44)51)43-22-10-16-37-15-4-5-17-41(37)43/h1-35H
InChIKeyHUNDTPCCYVUPCM-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.97
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167396586
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-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397214
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167396343
N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 166589618
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814275
N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494387
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397414
N-(4-dibenzofuran-3-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
CID 167326001
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397717
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]naphthalen-1-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 160742850

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine (CID 167397858) is N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cccc6ccccc56)c5ccccc45)cccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine?
The InChIKey is HUNDTPCCYVUPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NOS/c1-2-13-38(14-3-1)42-21-11-23-49-50-24-12-25-52(56(50)59-55(42)49)57(40-30-27-36(28-31-40)39-29-32-48-47-20-8-9-26-53(47)58-54(48)35-39)51-34-33-45(44-18-6-7-19-46(44)51)43-22-10-16-37-15-4-5-17-41(37)43/h1-35H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine has a molecular weight of 769.97 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 167397858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).