4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine

C72H52N4 — CID 130193119

IUPAC4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)c(c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c4ccc(N(c5ccccc5)c5ccccc5)c(c4)c3c2)cc1
InChIInChI=1S/C72H52N4/c1-9-25-55(26-10-1)73(56-27-11-2-12-28-56)63-43-45-65-53-41-48-72(76(61-37-21-7-22-38-61)62-39-23-8-24-40-62)70(50-53)68-52-64(74(57-29-13-3-14-30-57)58-31-15-4-16-32-58)44-46-66(68)54-42-47-71(69(49-54)67(65)51-63)75(59-33-17-5-18-34-59)60-35-19-6-20-36-60/h1-52H
InChIKeyWHMYNIJWTARDKZ-UHFFFAOYSA-N
MW973.24 g/mol
LogP20.74
Rot. Bonds12

About 4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine

4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine (PubChem CID 130193119) has the molecular formula C72H52N4 and a molecular weight of 973.24 g/mol. Its IUPAC name is 4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine.

Molecular Properties

Compound Name4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine
PubChem CID130193119
Molecular FormulaC72H52N4
Molecular Weight973.24 g/mol
Exact Mass972.42
IUPAC Name4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)c(c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c4ccc(N(c5ccccc5)c5ccccc5)c(c4)c3c2)cc1
InChIInChI=1S/C72H52N4/c1-9-25-55(26-10-1)73(56-27-11-2-12-28-56)63-43-45-65-53-41-48-72(76(61-37-21-7-22-38-61)62-39-23-8-24-40-62)70(50-53)68-52-64(74(57-29-13-3-14-30-57)58-31-15-4-16-32-58)44-46-66(68)54-42-47-71(69(49-54)67(65)51-63)75(59-33-17-5-18-34-59)60-35-19-6-20-36-60/h1-52H
InChIKeyWHMYNIJWTARDKZ-UHFFFAOYSA-N
XLogP20.74
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.24
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine with MolForge

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Related Compounds

2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine
CID 59403897
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
2-N-naphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-phenylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N,7-N-diphenylphenanthrene-2,7-diamine
CID 59754883
2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754912
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754864
2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine
CID 170410338
2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine
CID 58807472
N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]phenanthren-2-yl]aniline;N,4-diphenyl-N-[4-[7-[4-(N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline;N-naphthalen-1-yl-7-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-N-phenylphenanthren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline
CID 162152216
7-[4-(N-naphthalen-1-ylanilino)phenyl]-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 59754893
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine?
The IUPAC name of 4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine (CID 130193119) is 4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine.
What is the SMILES notation for 4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine?
The canonical SMILES for 4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine is c1ccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)c(c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c4ccc(N(c5ccccc5)c5ccccc5)c(c4)c3c2)cc1.
What is the InChIKey of 4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine?
The InChIKey is WHMYNIJWTARDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N4/c1-9-25-55(26-10-1)73(56-27-11-2-12-28-56)63-43-45-65-53-41-48-72(76(61-37-21-7-22-38-61)62-39-23-8-24-40-62)70(50-53)68-52-64(74(57-29-13-3-14-30-57)58-31-15-4-16-32-58)44-46-66(68)54-42-47-71(69(49-54)67(65)51-63)75(59-33-17-5-18-34-59)60-35-19-6-20-36-60/h1-52H.
What are the key properties of 4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine?
4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine has a molecular weight of 973.24 g/mol, XLogP of 20.74, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,11-N,11-N,15-N,15-N,22-N,22-N-octakis-phenylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene-4,11,15,22-tetramine is sourced from PubChem (CID 130193119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).