20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine

C55H42N2O2 — CID 163784613

IUPAC20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine
SMILESCOc1ccc(N(C)c2cccc(-c3ccc4c5c(C)c6c7cccc8c(N(c9ccccc9)c9ccc(OC)cc9)ccc(c6c(C)c5c5cccc3c45)c87)c2)cc1
InChIInChI=1S/C55H42N2O2/c1-33-50-45-18-10-16-43-42(35-12-9-15-39(32-35)56(3)36-20-24-40(58-4)25-21-36)28-29-47(54(43)45)52(50)34(2)51-46-19-11-17-44-49(31-30-48(53(33)51)55(44)46)57(37-13-7-6-8-14-37)38-22-26-41(59-5)27-23-38/h6-32H,1-5H3
InChIKeyMRLPDAKOXSWAOC-UHFFFAOYSA-N
MW762.95 g/mol
LogP15.02
Rot. Bonds8

About 20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine

20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine (PubChem CID 163784613) has the molecular formula C55H42N2O2 and a molecular weight of 762.95 g/mol. Its IUPAC name is 20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine.

Molecular Properties

Compound Name20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine
PubChem CID163784613
Molecular FormulaC55H42N2O2
Molecular Weight762.95 g/mol
Exact Mass762.32
IUPAC Name20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine
SMILESCOc1ccc(N(C)c2cccc(-c3ccc4c5c(C)c6c7cccc8c(N(c9ccccc9)c9ccc(OC)cc9)ccc(c6c(C)c5c5cccc3c45)c87)c2)cc1
InChIInChI=1S/C55H42N2O2/c1-33-50-45-18-10-16-43-42(35-12-9-15-39(32-35)56(3)36-20-24-40(58-4)25-21-36)28-29-47(54(43)45)52(50)34(2)51-46-19-11-17-44-49(31-30-48(53(33)51)55(44)46)57(37-13-7-6-8-14-37)38-22-26-41(59-5)27-23-38/h6-32H,1-5H3
InChIKeyMRLPDAKOXSWAOC-UHFFFAOYSA-N
XLogP15.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.95
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine with MolForge

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Related Compounds

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
N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
CID 59133381
3-N,3-N,9-N,9-N-tetrakis(4-methoxyphenyl)perylene-3,9-diamine
CID 20710079
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161212613
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160664392
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[4-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-2-amine;1-(6-methoxynaphthalen-2-yl)-4-[4-(6-methoxynaphthalen-2-yl)naphthalen-1-yl]naphthalene
CID 157482098
N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431945
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 59431567
[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
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
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
N-(4-methoxyphenyl)-1-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine
CID 164774334

Frequently Asked Questions

What is the IUPAC name of 20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine?
The IUPAC name of 20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine (CID 163784613) is 20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine.
What is the SMILES notation for 20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine?
The canonical SMILES for 20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine is COc1ccc(N(C)c2cccc(-c3ccc4c5c(C)c6c7cccc8c(N(c9ccccc9)c9ccc(OC)cc9)ccc(c6c(C)c5c5cccc3c45)c87)c2)cc1.
What is the InChIKey of 20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine?
The InChIKey is MRLPDAKOXSWAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2O2/c1-33-50-45-18-10-16-43-42(35-12-9-15-39(32-35)56(3)36-20-24-40(58-4)25-21-36)28-29-47(54(43)45)52(50)34(2)51-46-19-11-17-44-49(31-30-48(53(33)51)55(44)46)57(37-13-7-6-8-14-37)38-22-26-41(59-5)27-23-38/h6-32H,1-5H3.
What are the key properties of 20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine?
20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine has a molecular weight of 762.95 g/mol, XLogP of 15.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine is sourced from PubChem (CID 163784613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).