N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine

C56H36N2OS — CID 148534785

IUPACN-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5c(-c7ccccc7)c7ccccc7n56)cc4)c4cccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C56H36N2OS/c1-3-12-37(13-4-1)38-22-24-39(25-23-38)40-26-31-44(32-27-40)57(51-20-11-18-47-46-16-8-10-21-53(46)60-55(47)51)45-33-28-41(29-34-45)43-30-35-50-52(36-43)59-56-54(42-14-5-2-6-15-42)48-17-7-9-19-49(48)58(50)56/h1-36H
InChIKeyMQZFMWZMXAKBSW-UHFFFAOYSA-N
MW784.98 g/mol
LogP16.34
Rot. Bonds7

About N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine

N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 148534785) has the molecular formula C56H36N2OS and a molecular weight of 784.98 g/mol. Its IUPAC name is N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID148534785
Molecular FormulaC56H36N2OS
Molecular Weight784.98 g/mol
Exact Mass784.25
IUPAC NameN-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5c(-c7ccccc7)c7ccccc7n56)cc4)c4cccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C56H36N2OS/c1-3-12-37(13-4-1)38-22-24-39(25-23-38)40-26-31-44(32-27-40)57(51-20-11-18-47-46-16-8-10-21-53(46)60-55(47)51)45-33-28-41(29-34-45)43-30-35-50-52(36-43)59-56-54(42-14-5-2-6-15-42)48-17-7-9-19-49(48)58(50)56/h1-36H
InChIKeyMQZFMWZMXAKBSW-UHFFFAOYSA-N
XLogP16.34
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.98
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 153475777
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167397690
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 138745116
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
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-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 155105598
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine
CID 167110194

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 148534785) is N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5c(-c7ccccc7)c7ccccc7n56)cc4)c4cccc5c4sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is MQZFMWZMXAKBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2OS/c1-3-12-37(13-4-1)38-22-24-39(25-23-38)40-26-31-44(32-27-40)57(51-20-11-18-47-46-16-8-10-21-53(46)60-55(47)51)45-33-28-41(29-34-45)43-30-35-50-52(36-43)59-56-54(42-14-5-2-6-15-42)48-17-7-9-19-49(48)58(50)56/h1-36H.
What are the key properties of N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 784.98 g/mol, XLogP of 16.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 148534785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).