N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine

C157H158N10 — CID 89334206

IUPACN-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
SMILESCc1cc(CN(Cc2cc(CN(Cc3ccccc3)Cc3ccccc3)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)Cc2cc(CN(Cc3ccccc3)Cc3ccccc3)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)cc(CN(Cc2cc(CN(Cc3ccccc3)Cc3ccccc3)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)Cc2cc(CN(Cc3ccccc3)Cc3ccccc3)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)c1
InChIInChI=1S/C157H158N10/c1-127-82-144(113-166(123-154-89-146(115-158(97-128-50-18-2-19-51-128)98-129-52-20-3-21-53-129)85-147(90-154)116-159(99-130-54-22-4-23-55-130)100-131-56-24-5-25-57-131)124-155-91-148(117-160(101-132-58-26-6-27-59-132)102-133-60-28-7-29-61-133)86-149(92-155)118-161(103-134-62-30-8-31-63-134)104-135-64-32-9-33-65-135)84-145(83-127)114-167(125-156-93-150(119-162(105-136-66-34-10-35-67-136)106-137-68-36-11-37-69-137)87-151(94-156)120-163(107-138-70-38-12-39-71-138)108-139-72-40-13-41-73-139)126-157-95-152(121-164(109-140-74-42-14-43-75-140)110-141-76-44-15-45-77-141)88-153(96-157)122-165(111-142-78-46-16-47-79-142)112-143-80-48-17-49-81-143/h2-96H,97-126H2,1H3
InChIKeyKPHPTQFKHZAKRH-UHFFFAOYSA-N
MW2185.06 g/mol
LogP34.02
Rot. Bonds60

About N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine

N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine (PubChem CID 89334206) has the molecular formula C157H158N10 and a molecular weight of 2185.06 g/mol. Its IUPAC name is N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
PubChem CID89334206
Molecular FormulaC157H158N10
Molecular Weight2185.06 g/mol
Exact Mass2183.27
IUPAC NameN-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
SMILESCc1cc(CN(Cc2cc(CN(Cc3ccccc3)Cc3ccccc3)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)Cc2cc(CN(Cc3ccccc3)Cc3ccccc3)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)cc(CN(Cc2cc(CN(Cc3ccccc3)Cc3ccccc3)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)Cc2cc(CN(Cc3ccccc3)Cc3ccccc3)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)c1
InChIInChI=1S/C157H158N10/c1-127-82-144(113-166(123-154-89-146(115-158(97-128-50-18-2-19-51-128)98-129-52-20-3-21-53-129)85-147(90-154)116-159(99-130-54-22-4-23-55-130)100-131-56-24-5-25-57-131)124-155-91-148(117-160(101-132-58-26-6-27-59-132)102-133-60-28-7-29-61-133)86-149(92-155)118-161(103-134-62-30-8-31-63-134)104-135-64-32-9-33-65-135)84-145(83-127)114-167(125-156-93-150(119-162(105-136-66-34-10-35-67-136)106-137-68-36-11-37-69-137)87-151(94-156)120-163(107-138-70-38-12-39-71-138)108-139-72-40-13-41-73-139)126-157-95-152(121-164(109-140-74-42-14-43-75-140)110-141-76-44-15-45-77-141)88-153(96-157)122-165(111-142-78-46-16-47-79-142)112-143-80-48-17-49-81-143/h2-96H,97-126H2,1H3
InChIKeyKPHPTQFKHZAKRH-UHFFFAOYSA-N
XLogP34.02
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds60
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002185.06
LogP ≤ 534.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine with MolForge

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Related Compounds

2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
2-[(dibenzylamino)methyl]-4-methylaniline
CID 130159961
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine
CID 163873740
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
2-[(dibenzylamino)methyl]-4,5-dimethylphenol
CID 71582739
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
[3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934561
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine (CID 89334206) is N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine is Cc1cc(CN(Cc2cc(CN(Cc3ccccc3)Cc3ccccc3)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)Cc2cc(CN(Cc3ccccc3)Cc3ccccc3)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)cc(CN(Cc2cc(CN(Cc3ccccc3)Cc3ccccc3)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)Cc2cc(CN(Cc3ccccc3)Cc3ccccc3)cc(CN(Cc3ccccc3)Cc3ccccc3)c2)c1.
What is the InChIKey of N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine?
The InChIKey is KPHPTQFKHZAKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C157H158N10/c1-127-82-144(113-166(123-154-89-146(115-158(97-128-50-18-2-19-51-128)98-129-52-20-3-21-53-129)85-147(90-154)116-159(99-130-54-22-4-23-55-130)100-131-56-24-5-25-57-131)124-155-91-148(117-160(101-132-58-26-6-27-59-132)102-133-60-28-7-29-61-133)86-149(92-155)118-161(103-134-62-30-8-31-63-134)104-135-64-32-9-33-65-135)84-145(83-127)114-167(125-156-93-150(119-162(105-136-66-34-10-35-67-136)106-137-68-36-11-37-69-137)87-151(94-156)120-163(107-138-70-38-12-39-71-138)108-139-72-40-13-41-73-139)126-157-95-152(121-164(109-140-74-42-14-43-75-140)110-141-76-44-15-45-77-141)88-153(96-157)122-165(111-142-78-46-16-47-79-142)112-143-80-48-17-49-81-143/h2-96H,97-126H2,1H3.
What are the key properties of N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine?
N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine has a molecular weight of 2185.06 g/mol, XLogP of 34.02, 60 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 89334206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).