N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine

C194H156N16 — CID 101258821

IUPACN-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2ccc(C(=Nc3ccc(CN4CCCN(Cc5ccc(N=C(c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)cc5)CCN(Cc5ccc(N=C(c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)cc5)CCCN(Cc5ccc(N=C(c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)cc5)CC4)cc3)c3ccc(N=C(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C194H156N16/c1-17-51-147(52-18-1)183(148-53-19-2-20-54-148)199-175-115-91-163(92-116-175)191(164-93-117-176(118-94-164)200-184(149-55-21-3-22-56-149)150-57-23-4-24-58-150)195-171-107-83-143(84-108-171)139-207-131-49-132-209(141-145-87-111-173(112-88-145)197-193(167-99-123-179(124-100-167)203-187(155-67-33-9-34-68-155)156-69-35-10-36-70-156)168-101-125-180(126-102-168)204-188(157-71-37-11-38-72-157)158-73-39-12-40-74-158)137-138-210(142-146-89-113-174(114-90-146)198-194(169-103-127-181(128-104-169)205-189(159-75-41-13-42-76-159)160-77-43-14-44-78-160)170-105-129-182(130-106-170)206-190(161-79-45-15-46-80-161)162-81-47-16-48-82-162)134-50-133-208(136-135-207)140-144-85-109-172(110-86-144)196-192(165-95-119-177(120-96-165)201-185(151-59-25-5-26-60-151)152-61-27-6-28-62-152)166-97-121-178(122-98-166)202-186(153-63-29-7-30-64-153)154-65-31-8-32-66-154/h1-48,51-130H,49-50,131-142H2
InChIKeySXBKMKSYWVORPY-UHFFFAOYSA-N
MW2711.49 g/mol
LogP44.82
Rot. Bonds44

About N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine

N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine (PubChem CID 101258821) has the molecular formula C194H156N16 and a molecular weight of 2711.49 g/mol. Its IUPAC name is N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine
PubChem CID101258821
Molecular FormulaC194H156N16
Molecular Weight2711.49 g/mol
Exact Mass2709.27
IUPAC NameN-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2ccc(C(=Nc3ccc(CN4CCCN(Cc5ccc(N=C(c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)cc5)CCN(Cc5ccc(N=C(c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)cc5)CCCN(Cc5ccc(N=C(c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)cc5)CC4)cc3)c3ccc(N=C(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C194H156N16/c1-17-51-147(52-18-1)183(148-53-19-2-20-54-148)199-175-115-91-163(92-116-175)191(164-93-117-176(118-94-164)200-184(149-55-21-3-22-56-149)150-57-23-4-24-58-150)195-171-107-83-143(84-108-171)139-207-131-49-132-209(141-145-87-111-173(112-88-145)197-193(167-99-123-179(124-100-167)203-187(155-67-33-9-34-68-155)156-69-35-10-36-70-156)168-101-125-180(126-102-168)204-188(157-71-37-11-38-72-157)158-73-39-12-40-74-158)137-138-210(142-146-89-113-174(114-90-146)198-194(169-103-127-181(128-104-169)205-189(159-75-41-13-42-76-159)160-77-43-14-44-78-160)170-105-129-182(130-106-170)206-190(161-79-45-15-46-80-161)162-81-47-16-48-82-162)134-50-133-208(136-135-207)140-144-85-109-172(110-86-144)196-192(165-95-119-177(120-96-165)201-185(151-59-25-5-26-60-151)152-61-27-6-28-62-152)166-97-121-178(122-98-166)202-186(153-63-29-7-30-64-153)154-65-31-8-32-66-154/h1-48,51-130H,49-50,131-142H2
InChIKeySXBKMKSYWVORPY-UHFFFAOYSA-N
XLogP44.82
TPSA161.28 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds44
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002711.49
LogP ≤ 544.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-2-ol
CID 135622147
2-hydroxy-3-[N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylic acid
CID 135492840
1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine
CID 58853501
N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine
CID 86670013
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzylazepane
CID 10954328
2-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(diaminomethylidene)guanidine
CID 168604933
3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-5-(1,3-thiazol-4-yl)-1H-indol-2-ol
CID 177186112
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoacetic acid
CID 141207482
1-benzylpyrrolidine;propane
CID 143692089

Frequently Asked Questions

What is the IUPAC name of N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine (CID 101258821) is N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine is c1ccc(C(=Nc2ccc(C(=Nc3ccc(CN4CCCN(Cc5ccc(N=C(c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)cc5)CCN(Cc5ccc(N=C(c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)cc5)CCCN(Cc5ccc(N=C(c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)c6ccc(N=C(c7ccccc7)c7ccccc7)cc6)cc5)CC4)cc3)c3ccc(N=C(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine?
The InChIKey is SXBKMKSYWVORPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C194H156N16/c1-17-51-147(52-18-1)183(148-53-19-2-20-54-148)199-175-115-91-163(92-116-175)191(164-93-117-176(118-94-164)200-184(149-55-21-3-22-56-149)150-57-23-4-24-58-150)195-171-107-83-143(84-108-171)139-207-131-49-132-209(141-145-87-111-173(112-88-145)197-193(167-99-123-179(124-100-167)203-187(155-67-33-9-34-68-155)156-69-35-10-36-70-156)168-101-125-180(126-102-168)204-188(157-71-37-11-38-72-157)158-73-39-12-40-74-158)137-138-210(142-146-89-113-174(114-90-146)198-194(169-103-127-181(128-104-169)205-189(159-75-41-13-42-76-159)160-77-43-14-44-78-160)170-105-129-182(130-106-170)206-190(161-79-45-15-46-80-161)162-81-47-16-48-82-162)134-50-133-208(136-135-207)140-144-85-109-172(110-86-144)196-192(165-95-119-177(120-96-165)201-185(151-59-25-5-26-60-151)152-61-27-6-28-62-152)166-97-121-178(122-98-166)202-186(153-63-29-7-30-64-153)154-65-31-8-32-66-154/h1-48,51-130H,49-50,131-142H2.
What are the key properties of N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine?
N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine has a molecular weight of 2711.49 g/mol, XLogP of 44.82, 44 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 101258821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).