8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine

C70H56N2 — CID 58890344

IUPAC8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(C)cc7)c7ccc(C(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1
InChIInChI=1S/C70H56N2/c1-43(2)47-27-35-53(36-28-47)71(51-31-23-45(5)24-32-51)61-41-39-59-65-55(61)19-13-21-57(65)67-63(49-15-9-7-10-16-49)68-58-22-14-20-56-62(42-40-60(66(56)58)70(68)64(69(59)67)50-17-11-8-12-18-50)72(52-33-25-46(6)26-34-52)54-37-29-48(30-38-54)44(3)4/h7-44H,1-6H3
InChIKeyIXPVOHAUNFMSNC-UHFFFAOYSA-N
MW925.23 g/mol
LogP20.62
Rot. Bonds10

About 8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine

8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine (PubChem CID 58890344) has the molecular formula C70H56N2 and a molecular weight of 925.23 g/mol. Its IUPAC name is 8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine.

Molecular Properties

Compound Name8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
PubChem CID58890344
Molecular FormulaC70H56N2
Molecular Weight925.23 g/mol
Exact Mass924.44
IUPAC Name8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(C)cc7)c7ccc(C(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1
InChIInChI=1S/C70H56N2/c1-43(2)47-27-35-53(36-28-47)71(51-31-23-45(5)24-32-51)61-41-39-59-65-55(61)19-13-21-57(65)67-63(49-15-9-7-10-16-49)68-58-22-14-20-56-62(42-40-60(66(56)58)70(68)64(69(59)67)50-17-11-8-12-18-50)72(52-33-25-46(6)26-34-52)54-37-29-48(30-38-54)44(3)4/h7-44H,1-6H3
InChIKeyIXPVOHAUNFMSNC-UHFFFAOYSA-N
XLogP20.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.23
LogP ≤ 520.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine with MolForge

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Related Compounds

8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890448
8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890363
8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,20-N,20-N-tetrakis(3,4-dimethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
CID 159671581
8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
CID 158507814
8-N-(4-butan-2-yloxyphenyl)-8-N,20-N-bis(4-methylphenyl)-20-N,3,15-triphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
CID 58890404
N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine
CID 59133294
8-N,8-N,20-N,20-N-tetrakis[3,5-di(butan-2-yl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
CID 58890444
[4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium
CID 142208301
3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
N,N-bis(3-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine
CID 23534530
butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+)
CID 58890462
4-N,9-N-bis(4-methylphenyl)-4-N,9-N-bis(4-propan-2-ylphenyl)pyrene-4,9-diamine
CID 59533086

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?
The IUPAC name of 8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine (CID 58890344) is 8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine.
What is the SMILES notation for 8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?
The canonical SMILES for 8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine is Cc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(C)cc7)c7ccc(C(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.
What is the InChIKey of 8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?
The InChIKey is IXPVOHAUNFMSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H56N2/c1-43(2)47-27-35-53(36-28-47)71(51-31-23-45(5)24-32-51)61-41-39-59-65-55(61)19-13-21-57(65)67-63(49-15-9-7-10-16-49)68-58-22-14-20-56-62(42-40-60(66(56)58)70(68)64(69(59)67)50-17-11-8-12-18-50)72(52-33-25-46(6)26-34-52)54-37-29-48(30-38-54)44(3)4/h7-44H,1-6H3.
What are the key properties of 8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?
8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine has a molecular weight of 925.23 g/mol, XLogP of 20.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine is sourced from PubChem (CID 58890344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).