N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine

C68H78N4 — CID 123209582

IUPACN,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine
SMILESC1=CCC(C(C2=CCC(N(C3=CC4=C(CC3)N(C3C=CC=CC3)CCC4)C3C=CC=CC3)C=C2)C(C2=CCC(N(C3=CC4=C(CC3)N(C3C=CC=CC3)CCC4)C3C=CC=CC3)C=C2)C2C=CC=CC2)C=C1
InChIInChI=1S/C68H78N4/c1-7-21-51(22-8-1)67(53-35-39-61(40-36-53)71(59-31-15-5-16-32-59)63-43-45-65-55(49-63)25-19-47-69(65)57-27-11-3-12-28-57)68(52-23-9-2-10-24-52)54-37-41-62(42-38-54)72(60-33-17-6-18-34-60)64-44-46-66-56(50-64)26-20-48-70(66)58-29-13-4-14-30-58/h1-18,21,23,27,29,31,33,35-39,41,49-52,57-62,67-68H,19-20,22,24-26,28,30,32,34,40,42-48H2
InChIKeyMBOXHEBMNTWJRR-UHFFFAOYSA-N
MW951.40 g/mol
LogP15.19
Rot. Bonds13

About N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine

N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine (PubChem CID 123209582) has the molecular formula C68H78N4 and a molecular weight of 951.40 g/mol. Its IUPAC name is N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine.

Molecular Properties

Compound NameN,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine
PubChem CID123209582
Molecular FormulaC68H78N4
Molecular Weight951.40 g/mol
Exact Mass950.62
IUPAC NameN,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine
SMILESC1=CCC(C(C2=CCC(N(C3=CC4=C(CC3)N(C3C=CC=CC3)CCC4)C3C=CC=CC3)C=C2)C(C2=CCC(N(C3=CC4=C(CC3)N(C3C=CC=CC3)CCC4)C3C=CC=CC3)C=C2)C2C=CC=CC2)C=C1
InChIInChI=1S/C68H78N4/c1-7-21-51(22-8-1)67(53-35-39-61(40-36-53)71(59-31-15-5-16-32-59)63-43-45-65-55(49-63)25-19-47-69(65)57-27-11-3-12-28-57)68(52-23-9-2-10-24-52)54-37-41-62(42-38-54)72(60-33-17-6-18-34-60)64-44-46-66-56(50-64)26-20-48-70(66)58-29-13-4-14-30-58/h1-18,21,23,27,29,31,33,35-39,41,49-52,57-62,67-68H,19-20,22,24-26,28,30,32,34,40,42-48H2
InChIKeyMBOXHEBMNTWJRR-UHFFFAOYSA-N
XLogP15.19
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.40
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine?
The IUPAC name of N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine (CID 123209582) is N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine.
What is the SMILES notation for N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine?
The canonical SMILES for N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine is C1=CCC(C(C2=CCC(N(C3=CC4=C(CC3)N(C3C=CC=CC3)CCC4)C3C=CC=CC3)C=C2)C(C2=CCC(N(C3=CC4=C(CC3)N(C3C=CC=CC3)CCC4)C3C=CC=CC3)C=C2)C2C=CC=CC2)C=C1.
What is the InChIKey of N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine?
The InChIKey is MBOXHEBMNTWJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H78N4/c1-7-21-51(22-8-1)67(53-35-39-61(40-36-53)71(59-31-15-5-16-32-59)63-43-45-65-55(49-63)25-19-47-69(65)57-27-11-3-12-28-57)68(52-23-9-2-10-24-52)54-37-41-62(42-38-54)72(60-33-17-6-18-34-60)64-44-46-66-56(50-64)26-20-48-70(66)58-29-13-4-14-30-58/h1-18,21,23,27,29,31,33,35-39,41,49-52,57-62,67-68H,19-20,22,24-26,28,30,32,34,40,42-48H2.
What are the key properties of N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine?
N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine has a molecular weight of 951.40 g/mol, XLogP of 15.19, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-di(cyclohexa-2,4-dien-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-(1-cyclohexa-2,4-dien-1-yl-3,4,7,8-tetrahydro-2H-quinolin-6-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]-3,4,7,8-tetrahydro-2H-quinolin-6-amine is sourced from PubChem (CID 123209582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).