N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline

C86H76N2 — CID 89218150

IUPACN,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline
SMILESC1=CCC(c2cccc(N(C3=CCCC(c4c5c(c(-c6cccc7c6=CCCC=7c6c7c(c(C8=CC=CC(N(C9=CCCC=C9)C9=CC(c%10ccccc%10)=CCC9)C8)c8ccccc68)=CCCC=7)c6ccccc46)=CCCC=5)=C3)C3C=CC=CC3)c2)C=C1
InChIInChI=1S/C86H76N2/c1-5-27-59(28-6-1)61-31-21-39-67(55-61)87(65-35-9-3-10-36-65)69-41-23-33-63(57-69)83-75-43-13-17-47-79(75)85(80-48-18-14-44-76(80)83)73-53-25-52-72-71(73)51-26-54-74(72)86-81-49-19-15-45-77(81)84(78-46-16-20-50-82(78)86)64-34-24-42-70(58-64)88(66-37-11-4-12-38-66)68-40-22-32-62(56-68)60-29-7-2-8-30-60/h1-3,5-11,13,15,17,19,21,24-25,27,29-32,34-35,37-39,41-53,55-57,59,65,70H,4,12,14,16,18,20,22-23,26,28,33,36,40,54,58H2
InChIKeyHOMCTQIGUMZPQU-UHFFFAOYSA-N
MW1137.57 g/mol
LogP17.20
Rot. Bonds12

About N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline

N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline (PubChem CID 89218150) has the molecular formula C86H76N2 and a molecular weight of 1137.57 g/mol. Its IUPAC name is N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline.

Molecular Properties

Compound NameN,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline
PubChem CID89218150
Molecular FormulaC86H76N2
Molecular Weight1137.57 g/mol
Exact Mass1136.60
IUPAC NameN,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline
SMILESC1=CCC(c2cccc(N(C3=CCCC(c4c5c(c(-c6cccc7c6=CCCC=7c6c7c(c(C8=CC=CC(N(C9=CCCC=C9)C9=CC(c%10ccccc%10)=CCC9)C8)c8ccccc68)=CCCC=7)c6ccccc46)=CCCC=5)=C3)C3C=CC=CC3)c2)C=C1
InChIInChI=1S/C86H76N2/c1-5-27-59(28-6-1)61-31-21-39-67(55-61)87(65-35-9-3-10-36-65)69-41-23-33-63(57-69)83-75-43-13-17-47-79(75)85(80-48-18-14-44-76(80)83)73-53-25-52-72-71(73)51-26-54-74(72)86-81-49-19-15-45-77(81)84(78-46-16-20-50-82(78)86)64-34-24-42-70(58-64)88(66-37-11-4-12-38-66)68-40-22-32-62(56-68)60-29-7-2-8-30-60/h1-3,5-11,13,15,17,19,21,24-25,27,29-32,34-35,37-39,41-53,55-57,59,65,70H,4,12,14,16,18,20,22-23,26,28,33,36,40,54,58H2
InChIKeyHOMCTQIGUMZPQU-UHFFFAOYSA-N
XLogP17.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.57
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline?
The IUPAC name of N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline (CID 89218150) is N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline.
What is the SMILES notation for N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline?
The canonical SMILES for N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline is C1=CCC(c2cccc(N(C3=CCCC(c4c5c(c(-c6cccc7c6=CCCC=7c6c7c(c(C8=CC=CC(N(C9=CCCC=C9)C9=CC(c%10ccccc%10)=CCC9)C8)c8ccccc68)=CCCC=7)c6ccccc46)=CCCC=5)=C3)C3C=CC=CC3)c2)C=C1.
What is the InChIKey of N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline?
The InChIKey is HOMCTQIGUMZPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H76N2/c1-5-27-59(28-6-1)61-31-21-39-67(55-61)87(65-35-9-3-10-36-65)69-41-23-33-63(57-69)83-75-43-13-17-47-79(75)85(80-48-18-14-44-76(80)83)73-53-25-52-72-71(73)51-26-54-74(72)86-81-49-19-15-45-77(81)84(78-46-16-20-50-82(78)86)64-34-24-42-70(58-64)88(66-37-11-4-12-38-66)68-40-22-32-62(56-68)60-29-7-2-8-30-60/h1-3,5-11,13,15,17,19,21,24-25,27,29-32,34-35,37-39,41-53,55-57,59,65,70H,4,12,14,16,18,20,22-23,26,28,33,36,40,54,58H2.
What are the key properties of N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline?
N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline has a molecular weight of 1137.57 g/mol, XLogP of 17.20, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline is sourced from PubChem (CID 89218150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).