2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine

C74H49N5O — CID 153293141

About 2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine

2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine (PubChem CID 153293141) has the molecular formula C74H49N5O and a molecular weight of 1024.24 g/mol. Its IUPAC name is 2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine.

Molecular Properties

• Compound Name: 2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine
• PubChem CID: 153293141
• Molecular Formula: C74H49N5O
• Molecular Weight: 1024.24 g/mol
• Exact Mass: 1023.39
• IUPAC Name: 2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3[nH]c(-c4ccc5c6c7ccc8c(c7ccc6n(-c6ccccc6)c5c4)c4ccc(-c5cc6cc(N(c7ccccc7)c7ccccc7)ccc6o5)cc4n8-c4ccccc4)cc3c2)cc1
• InChI: InChI=1S/C74H49N5O/c1-7-19-53(20-8-1)76(54-21-9-2-10-22-54)59-33-39-65-51(43-59)45-66(75-65)49-31-35-63-69(46-49)78(57-27-15-5-16-28-57)67-40-37-62-61(73(63)67)38-41-68-74(62)64-36-32-50(47-70(64)79(68)58-29-17-6-18-30-58)72-48-52-44-60(34-42-71(52)80-72)77(55-23-11-3-12-24-55)56-25-13-4-14-26-56/h1-48,75H
• InChIKey: VECQITQTPQYWIP-UHFFFAOYSA-N
• XLogP: 20.54
• TPSA: 45.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1024.24
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine?

The IUPAC name of 2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine (CID 153293141) is 2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine.

What is the SMILES notation for 2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine?

The canonical SMILES for 2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine is c1ccc(N(c2ccccc2)c2ccc3[nH]c(-c4ccc5c6c7ccc8c(c7ccc6n(-c6ccccc6)c5c4)c4ccc(-c5cc6cc(N(c7ccccc7)c7ccccc7)ccc6o5)cc4n8-c4ccccc4)cc3c2)cc1.

What is the InChIKey of 2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine?

The InChIKey is VECQITQTPQYWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H49N5O/c1-7-19-53(20-8-1)76(54-21-9-2-10-22-54)59-33-39-65-51(43-59)45-66(75-65)49-31-35-63-69(46-49)78(57-27-15-5-16-28-57)67-40-37-62-61(73(63)67)38-41-68-74(62)64-36-32-50(47-70(64)79(68)58-29-17-6-18-30-58)72-48-52-44-60(34-42-71(52)80-72)77(55-23-11-3-12-24-55)56-25-13-4-14-26-56/h1-48,75H.

What are the key properties of 2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine?

2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine has a molecular weight of 1024.24 g/mol, XLogP of 20.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9,21-diphenyl-18-[5-(N-phenylanilino)-1-benzofuran-2-yl]-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-N,N-diphenyl-1H-indol-5-amine is sourced from PubChem (CID 153293141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).