N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline

C234H159N9O4S2 — CID 160887060

IUPACN-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2c3ccccc3n3c2oc2ccc(-c4ccc(-c5ccc(N(c6cccc7c6sc6ccccc67)c6cccc7c6sc6ccccc67)cc5)cc4)cc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5ccc6oc7c(-c8ccccc8)c8ccccc8n7c6c5)cc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4cc(-c5ccc6oc7c(-c8ccccc8)c8ccccc8n7c6c5)ccc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4c(ccc5cc(-c6ccc7oc8c(-c9ccccc9)c9ccccc9n8c7c6)ccc54)c3)cc2)cc1
InChIInChI=1S/C64H41N3O.C58H46N2O.C56H34N2OS2.C56H38N2O/c1-3-14-42(15-4-1)43-28-32-49(33-29-43)65(50-18-13-19-51(41-50)66-58-23-10-7-20-55(58)56-21-8-11-24-59(56)66)52-34-36-54-48(39-52)27-26-47-38-45(30-35-53(47)54)46-31-37-62-61(40-46)67-60-25-12-9-22-57(60)63(64(67)68-62)44-16-5-2-6-17-44;1-3-9-41(10-4-1)42-17-23-49(24-18-42)59(50-26-21-48(22-27-50)58-35-38-29-39(36-58)31-40(30-38)37-58)51-25-19-45-32-44(15-16-46(45)33-51)47-20-28-55-54(34-47)60-53-14-8-7-13-52(53)56(57(60)61-55)43-11-5-2-6-12-43;1-2-12-38(13-3-1)53-45-16-4-7-19-46(45)58-49-34-39(30-33-50(49)59-56(53)58)37-26-24-35(25-27-37)36-28-31-40(32-29-36)57(47-20-10-17-43-41-14-5-8-22-51(41)60-54(43)47)48-21-11-18-44-42-15-6-9-23-52(42)61-55(44)48;1-4-13-39(14-5-1)41-27-32-48(33-28-41)57(49-34-29-42(30-35-49)40-15-6-2-7-16-40)50-20-12-19-46(37-50)43-23-25-44(26-24-43)47-31-36-54-53(38-47)58-52-22-11-10-21-51(52)55(56(58)59-54)45-17-8-3-9-18-45/h1-41H;1-28,32-34,38-40H,29-31,35-37H2;1-34H;1-38H
InChIKeySNTXDQDHOIINJR-UHFFFAOYSA-N
MW3225.04 g/mol
LogP66.33
Rot. Bonds28

About N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline

N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline (PubChem CID 160887060) has the molecular formula C234H159N9O4S2 and a molecular weight of 3225.04 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
PubChem CID160887060
Molecular FormulaC234H159N9O4S2
Molecular Weight3225.04 g/mol
Exact Mass3222.20
IUPAC NameN-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2c3ccccc3n3c2oc2ccc(-c4ccc(-c5ccc(N(c6cccc7c6sc6ccccc67)c6cccc7c6sc6ccccc67)cc5)cc4)cc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5ccc6oc7c(-c8ccccc8)c8ccccc8n7c6c5)cc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4cc(-c5ccc6oc7c(-c8ccccc8)c8ccccc8n7c6c5)ccc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4c(ccc5cc(-c6ccc7oc8c(-c9ccccc9)c9ccccc9n8c7c6)ccc54)c3)cc2)cc1
InChIInChI=1S/C64H41N3O.C58H46N2O.C56H34N2OS2.C56H38N2O/c1-3-14-42(15-4-1)43-28-32-49(33-29-43)65(50-18-13-19-51(41-50)66-58-23-10-7-20-55(58)56-21-8-11-24-59(56)66)52-34-36-54-48(39-52)27-26-47-38-45(30-35-53(47)54)46-31-37-62-61(40-46)67-60-25-12-9-22-57(60)63(64(67)68-62)44-16-5-2-6-17-44;1-3-9-41(10-4-1)42-17-23-49(24-18-42)59(50-26-21-48(22-27-50)58-35-38-29-39(36-58)31-40(30-38)37-58)51-25-19-45-32-44(15-16-46(45)33-51)47-20-28-55-54(34-47)60-53-14-8-7-13-52(53)56(57(60)61-55)43-11-5-2-6-12-43;1-2-12-38(13-3-1)53-45-16-4-7-19-46(45)58-49-34-39(30-33-50(49)59-56(53)58)37-26-24-35(25-27-37)36-28-31-40(32-29-36)57(47-20-10-17-43-41-14-5-8-22-51(41)60-54(43)47)48-21-11-18-44-42-15-6-9-23-52(42)61-55(44)48;1-4-13-39(14-5-1)41-27-32-48(33-28-41)57(49-34-29-42(30-35-49)40-15-6-2-7-16-40)50-20-12-19-46(37-50)43-23-25-44(26-24-43)47-31-36-54-53(38-47)58-52-22-11-10-21-51(52)55(56(58)59-54)45-17-8-3-9-18-45/h1-41H;1-28,32-34,38-40H,29-31,35-37H2;1-34H;1-38H
InChIKeySNTXDQDHOIINJR-UHFFFAOYSA-N
XLogP66.33
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003225.04
LogP ≤ 566.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline (CID 160887060) is N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2c3ccccc3n3c2oc2ccc(-c4ccc(-c5ccc(N(c6cccc7c6sc6ccccc67)c6cccc7c6sc6ccccc67)cc5)cc4)cc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5ccc6oc7c(-c8ccccc8)c8ccccc8n7c6c5)cc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4cc(-c5ccc6oc7c(-c8ccccc8)c8ccccc8n7c6c5)ccc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4c(ccc5cc(-c6ccc7oc8c(-c9ccccc9)c9ccccc9n8c7c6)ccc54)c3)cc2)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is SNTXDQDHOIINJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3O.C58H46N2O.C56H34N2OS2.C56H38N2O/c1-3-14-42(15-4-1)43-28-32-49(33-29-43)65(50-18-13-19-51(41-50)66-58-23-10-7-20-55(58)56-21-8-11-24-59(56)66)52-34-36-54-48(39-52)27-26-47-38-45(30-35-53(47)54)46-31-37-62-61(40-46)67-60-25-12-9-22-57(60)63(64(67)68-62)44-16-5-2-6-17-44;1-3-9-41(10-4-1)42-17-23-49(24-18-42)59(50-26-21-48(22-27-50)58-35-38-29-39(36-58)31-40(30-38)37-58)51-25-19-45-32-44(15-16-46(45)33-51)47-20-28-55-54(34-47)60-53-14-8-7-13-52(53)56(57(60)61-55)43-11-5-2-6-12-43;1-2-12-38(13-3-1)53-45-16-4-7-19-46(45)58-49-34-39(30-33-50(49)59-56(53)58)37-26-24-35(25-27-37)36-28-31-40(32-29-36)57(47-20-10-17-43-41-14-5-8-22-51(41)60-54(43)47)48-21-11-18-44-42-15-6-9-23-52(42)61-55(44)48;1-4-13-39(14-5-1)41-27-32-48(33-28-41)57(49-34-29-42(30-35-49)40-15-6-2-7-16-40)50-20-12-19-46(37-50)43-23-25-44(26-24-43)47-31-36-54-53(38-47)58-52-22-11-10-21-51(52)55(56(58)59-54)45-17-8-3-9-18-45/h1-41H;1-28,32-34,38-40H,29-31,35-37H2;1-34H;1-38H.
What are the key properties of N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline?
N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 3225.04 g/mol, XLogP of 66.33, 28 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-6-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)phenanthren-2-amine;N-dibenzothiophen-4-yl-N-[4-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]phenyl]dibenzothiophen-4-amine;3-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 160887060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).