6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine

C87H60N4O2 — CID 134560170

IUPAC6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine
SMILESC=Cc1cc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c6ccc7c(c6ccc5n(-c5ccccc5)c4c3)c3ccc(N(c4ccc(-c5cc6ccccc6o5)cc4)c4cccc(-c5ccccc5)c4)cc3n7-c3ccccc3)cc2)oc1/C=C\C
InChIInChI=1S/C87H60N4O2/c1-3-21-82-58(4-2)54-84(92-82)61-36-40-68(41-37-61)88(70-33-19-27-63(52-70)59-22-9-5-10-23-59)72-44-46-76-80(56-72)90(66-29-13-7-14-30-66)78-50-48-75-74(86(76)78)49-51-79-87(75)77-47-45-73(57-81(77)91(79)67-31-15-8-16-32-67)89(71-34-20-28-64(53-71)60-24-11-6-12-25-60)69-42-38-62(39-43-69)85-55-65-26-17-18-35-83(65)93-85/h3-57H,2H2,1H3/b21-3-
InChIKeyUDVQWMVREGJEKL-OSSHXBFKSA-N
MW1193.46 g/mol
LogP24.66
Rot. Bonds14

About 6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine

6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine (PubChem CID 134560170) has the molecular formula C87H60N4O2 and a molecular weight of 1193.46 g/mol. Its IUPAC name is 6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine.

Molecular Properties

Compound Name6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine
PubChem CID134560170
Molecular FormulaC87H60N4O2
Molecular Weight1193.46 g/mol
Exact Mass1192.47
IUPAC Name6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine
SMILESC=Cc1cc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c6ccc7c(c6ccc5n(-c5ccccc5)c4c3)c3ccc(N(c4ccc(-c5cc6ccccc6o5)cc4)c4cccc(-c5ccccc5)c4)cc3n7-c3ccccc3)cc2)oc1/C=C\C
InChIInChI=1S/C87H60N4O2/c1-3-21-82-58(4-2)54-84(92-82)61-36-40-68(41-37-61)88(70-33-19-27-63(52-70)59-22-9-5-10-23-59)72-44-46-76-80(56-72)90(66-29-13-7-14-30-66)78-50-48-75-74(86(76)78)49-51-79-87(75)77-47-45-73(57-81(77)91(79)67-31-15-8-16-32-67)89(71-34-20-28-64(53-71)60-24-11-6-12-25-60)69-42-38-62(39-43-69)85-55-65-26-17-18-35-83(65)93-85/h3-57H,2H2,1H3/b21-3-
InChIKeyUDVQWMVREGJEKL-OSSHXBFKSA-N
XLogP24.66
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.46
LogP ≤ 524.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine with MolForge

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Related Compounds

4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-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-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-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-undecaene-6,18-diamine
CID 159743279
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
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine
CID 90050679
3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398005
ethane;5-ethenyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)phenyl]-9-(4-phenylphenyl)-6-[(Z)-prop-1-enyl]carbazol-2-amine
CID 145362335
N-[3-(1-benzofuran-2-yl)phenyl]-3,5-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170398609
3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline
CID 167179629
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine?
The IUPAC name of 6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine (CID 134560170) is 6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine.
What is the SMILES notation for 6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine?
The canonical SMILES for 6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine is C=Cc1cc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c6ccc7c(c6ccc5n(-c5ccccc5)c4c3)c3ccc(N(c4ccc(-c5cc6ccccc6o5)cc4)c4cccc(-c5ccccc5)c4)cc3n7-c3ccccc3)cc2)oc1/C=C\C.
What is the InChIKey of 6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine?
The InChIKey is UDVQWMVREGJEKL-OSSHXBFKSA-N. The full InChI is InChI=1S/C87H60N4O2/c1-3-21-82-58(4-2)54-84(92-82)61-36-40-68(41-37-61)88(70-33-19-27-63(52-70)59-22-9-5-10-23-59)72-44-46-76-80(56-72)90(66-29-13-7-14-30-66)78-50-48-75-74(86(76)78)49-51-79-87(75)77-47-45-73(57-81(77)91(79)67-31-15-8-16-32-67)89(71-34-20-28-64(53-71)60-24-11-6-12-25-60)69-42-38-62(39-43-69)85-55-65-26-17-18-35-83(65)93-85/h3-57H,2H2,1H3/b21-3-.
What are the key properties of 6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine?
6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine has a molecular weight of 1193.46 g/mol, XLogP of 24.66, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(1-benzofuran-2-yl)phenyl]-18-N-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]furan-2-yl]phenyl]-9,21-diphenyl-6-N,18-N-bis(3-phenylphenyl)-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-undecaene-6,18-diamine is sourced from PubChem (CID 134560170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).