1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole

C60H58N6O2 — CID 127029345

IUPAC1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole
SMILESCOc1ccc(-c2nc(CN3CCN(Cc4cc5c6ccccc6n(CCCc6ccccc6)c5c(-c5ccc(OC)cc5)n4)CC3)cc3c4ccccc4n(CCCc4ccccc4)c23)cc1
InChIInChI=1S/C60H58N6O2/c1-67-49-29-25-45(26-30-49)57-59-53(51-21-9-11-23-55(51)65(59)33-13-19-43-15-5-3-6-16-43)39-47(61-57)41-63-35-37-64(38-36-63)42-48-40-54-52-22-10-12-24-56(52)66(34-14-20-44-17-7-4-8-18-44)60(54)58(62-48)46-27-31-50(68-2)32-28-46/h3-12,15-18,21-32,39-40H,13-14,19-20,33-38,41-42H2,1-2H3
InChIKeyNNDPYELNINMIBO-UHFFFAOYSA-N
MW895.16 g/mol
LogP12.63
Rot. Bonds16

About 1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole

1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole (PubChem CID 127029345) has the molecular formula C60H58N6O2 and a molecular weight of 895.16 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole
PubChem CID127029345
Molecular FormulaC60H58N6O2
Molecular Weight895.16 g/mol
Exact Mass894.46
IUPAC Name1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole
SMILESCOc1ccc(-c2nc(CN3CCN(Cc4cc5c6ccccc6n(CCCc6ccccc6)c5c(-c5ccc(OC)cc5)n4)CC3)cc3c4ccccc4n(CCCc4ccccc4)c23)cc1
InChIInChI=1S/C60H58N6O2/c1-67-49-29-25-45(26-30-49)57-59-53(51-21-9-11-23-55(51)65(59)33-13-19-43-15-5-3-6-16-43)39-47(61-57)41-63-35-37-64(38-36-63)42-48-40-54-52-22-10-12-24-56(52)66(34-14-20-44-17-7-4-8-18-44)60(54)58(62-48)46-27-31-50(68-2)32-28-46/h3-12,15-18,21-32,39-40H,13-14,19-20,33-38,41-42H2,1-2H3
InChIKeyNNDPYELNINMIBO-UHFFFAOYSA-N
XLogP12.63
TPSA60.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.16
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole?
The IUPAC name of 1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole (CID 127029345) is 1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole is COc1ccc(-c2nc(CN3CCN(Cc4cc5c6ccccc6n(CCCc6ccccc6)c5c(-c5ccc(OC)cc5)n4)CC3)cc3c4ccccc4n(CCCc4ccccc4)c23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole?
The InChIKey is NNDPYELNINMIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H58N6O2/c1-67-49-29-25-45(26-30-49)57-59-53(51-21-9-11-23-55(51)65(59)33-13-19-43-15-5-3-6-16-43)39-47(61-57)41-63-35-37-64(38-36-63)42-48-40-54-52-22-10-12-24-56(52)66(34-14-20-44-17-7-4-8-18-44)60(54)58(62-48)46-27-31-50(68-2)32-28-46/h3-12,15-18,21-32,39-40H,13-14,19-20,33-38,41-42H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole?
1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole has a molecular weight of 895.16 g/mol, XLogP of 12.63, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole is sourced from PubChem (CID 127029345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).