10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine

C244H153N21O8S3 — CID 164999752

About 10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine

10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine (PubChem CID 164999752) has the molecular formula C244H153N21O8S3 and a molecular weight of 3603.25 g/mol. Its IUPAC name is 10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine.

Molecular Properties

• Compound Name: 10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine
• PubChem CID: 164999752
• Molecular Formula: C244H153N21O8S3
• Molecular Weight: 3603.25 g/mol
• Exact Mass: 3600.14
• IUPAC Name: 10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine
• SMILES: c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4cc6cc(N(c7ccc(-c8nc9ccccc9o8)cc7)c7cccc(-c8ccccc8)c7)ccc6cc45)cc3)c3ccc(-c4nc5ccccc5o4)cc3)c2)cc1.c1ccc(-n2nc3ccc(N(c4ccc5scnc5c4)c4cccc5c4ccc4oc6cc(N(c7ccc8c(c7)=NC(c7ccc9c(c7)oc7ccccc79)N=8)c7ccc8ncoc8c7)c7ccccc7c6c45)cc3n2)cc1.c1ccc(N(c2ccc(-c3cccc4c3=NCN=4)cc2)c2ccc3oc4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccccc2-c2cccc3oc4c5ccc(N(c6cccc(-c7nc8ccccc8s7)c6)c6cccc(-c7nc8ccccc8s7)c6)cc5ccc4c23)cc1
• InChI: InChI=1S/C72H46N4O3.C65H37N9O3S.C60H38N4OS2.C47H32N4O/c1-3-13-47(14-4-1)52-17-11-19-60(41-52)75(58-35-27-50(28-36-58)71-73-65-21-7-9-23-67(65)78-71)57-33-25-49(26-34-57)55-32-40-63-64-44-54-31-39-62(43-56(54)46-70(64)77-69(63)45-55)76(61-20-12-18-53(42-61)48-15-5-2-6-16-48)59-37-29-51(30-38-59)72-74-66-22-8-10-24-68(66)79-72;1-2-9-38(10-3-1)74-70-50-25-19-40(31-53(50)71-74)72(41-21-28-62-54(32-41)67-36-78-62)55-15-8-14-48-44(55)23-27-58-63(48)64-47-13-5-4-11-43(47)56(34-61(64)77-58)73(42-20-26-51-60(33-42)75-35-66-51)39-18-24-49-52(30-39)69-65(68-49)37-17-22-46-45-12-6-7-16-57(45)76-59(46)29-37;1-3-18-42(19-4-1)64(43-20-5-2-6-21-43)53-28-10-7-24-48(53)49-25-15-29-54-57(49)50-34-32-39-36-46(33-35-47(39)58(50)65-54)63(44-22-13-16-40(37-44)59-61-51-26-8-11-30-55(51)66-59)45-23-14-17-41(38-45)60-62-52-27-9-12-31-56(52)67-60;1-4-13-33(14-5-1)50(36-25-23-32(24-26-36)38-21-12-22-42-47(38)49-31-48-42)37-27-28-44-41(29-37)46-40-20-11-10-19-39(40)43(30-45(46)52-44)51(34-15-6-2-7-16-34)35-17-8-3-9-18-35/h1-46H;1-36,65H;1-38H;1-30H,31H2
• InChIKey: IBRMTMKUAYCLLW-UHFFFAOYSA-N
• XLogP: 65.92
• TPSA: 288.53 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3603.25
LogP ≤ 5	65.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine?

The IUPAC name of 10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine (CID 164999752) is 10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine.

What is the SMILES notation for 10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine?

The canonical SMILES for 10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4cc6cc(N(c7ccc(-c8nc9ccccc9o8)cc7)c7cccc(-c8ccccc8)c7)ccc6cc45)cc3)c3ccc(-c4nc5ccccc5o4)cc3)c2)cc1.c1ccc(-n2nc3ccc(N(c4ccc5scnc5c4)c4cccc5c4ccc4oc6cc(N(c7ccc8c(c7)=NC(c7ccc9c(c7)oc7ccccc79)N=8)c7ccc8ncoc8c7)c7ccccc7c6c45)cc3n2)cc1.c1ccc(N(c2ccc(-c3cccc4c3=NCN=4)cc2)c2ccc3oc4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccccc2-c2cccc3oc4c5ccc(N(c6cccc(-c7nc8ccccc8s7)c6)c6cccc(-c7nc8ccccc8s7)c6)cc5ccc4c23)cc1.

What is the InChIKey of 10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine?

The InChIKey is IBRMTMKUAYCLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N4O3.C65H37N9O3S.C60H38N4OS2.C47H32N4O/c1-3-13-47(14-4-1)52-17-11-19-60(41-52)75(58-35-27-50(28-36-58)71-73-65-21-7-9-23-67(65)78-71)57-33-25-49(26-34-57)55-32-40-63-64-44-54-31-39-62(43-56(54)46-70(64)77-69(63)45-55)76(61-20-12-18-53(42-61)48-15-5-2-6-16-48)59-37-29-51(30-38-59)72-74-66-22-8-10-24-68(66)79-72;1-2-9-38(10-3-1)74-70-50-25-19-40(31-53(50)71-74)72(41-21-28-62-54(32-41)67-36-78-62)55-15-8-14-48-44(55)23-27-58-63(48)64-47-13-5-4-11-43(47)56(34-61(64)77-58)73(42-20-26-51-60(33-42)75-35-66-51)39-18-24-49-52(30-39)69-65(68-49)37-17-22-46-45-12-6-7-16-57(45)76-59(46)29-37;1-3-18-42(19-4-1)64(43-20-5-2-6-21-43)53-28-10-7-24-48(53)49-25-15-29-54-57(49)50-34-32-39-36-46(33-35-47(39)58(50)65-54)63(44-22-13-16-40(37-44)59-61-51-26-8-11-30-55(51)66-59)45-23-14-17-41(38-45)60-62-52-27-9-12-31-56(52)67-60;1-4-13-33(14-5-1)50(36-25-23-32(24-26-36)38-21-12-22-42-47(38)49-31-48-42)37-27-28-44-41(29-37)46-40-20-11-10-19-39(40)43(30-45(46)52-44)51(34-15-6-2-7-16-34)35-17-8-3-9-18-35/h1-46H;1-36,65H;1-38H;1-30H,31H2.

What are the key properties of 10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine?

10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine has a molecular weight of 3603.25 g/mol, XLogP of 65.92, 35 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N-[4-(2H-benzimidazol-4-yl)phenyl]-5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;7-N-(1,3-benzothiazol-5-yl)-15-N-(1,3-benzoxazol-6-yl)-15-N-(2-dibenzofuran-3-yl-2H-benzimidazol-5-yl)-7-N-(2-phenylbenzotriazol-5-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-7,15-diamine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)naphtho[3,2-b][1]benzofuran-8-amine;N,N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-3-amine is sourced from PubChem (CID 164999752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).