4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline

C114H80N16 — CID 166778150

IUPAC4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline
SMILES[H]/N=C1\C=CC=C\C1=N\Nc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(-n8nc9cccc(-c%10ccc%11nn(-c%12ccc(N(c%13ccccc%13)c%13ccc(-c%14ccc(N(c%15ccccc%15)c%15ccc(-n%16nc%17ccccc%17n%16)cc%15)cc%14)cc%13)cc%12)nc%11c%10)c9n8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C114H80N16/c115-107-27-13-14-28-108(107)117-116-90-53-36-81(37-54-90)84-42-59-97(60-43-84)124(91-18-5-1-6-19-91)95-55-38-82(39-56-95)79-32-34-80(35-33-79)83-40-57-96(58-41-83)125(92-20-7-2-8-21-92)98-61-48-87(49-62-98)88-50-67-103(68-51-88)130-121-112-31-17-26-106(114(112)123-130)89-52-77-111-113(78-89)122-129(120-111)105-75-71-102(72-76-105)127(94-24-11-4-12-25-94)100-65-46-86(47-66-100)85-44-63-99(64-45-85)126(93-22-9-3-10-23-93)101-69-73-104(74-70-101)128-118-109-29-15-16-30-110(109)119-128/h1-78,115-116H/b115-107+,117-108-
InChIKeyHNSZXCKDZSEEHP-KFMGGPOPSA-N
MW1674.01 g/mol
LogP28.68
Rot. Bonds23

About 4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline

4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline (PubChem CID 166778150) has the molecular formula C114H80N16 and a molecular weight of 1674.01 g/mol. Its IUPAC name is 4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline.

Molecular Properties

Compound Name4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline
PubChem CID166778150
Molecular FormulaC114H80N16
Molecular Weight1674.01 g/mol
Exact Mass1672.68
IUPAC Name4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline
SMILES[H]/N=C1\C=CC=C\C1=N\Nc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(-n8nc9cccc(-c%10ccc%11nn(-c%12ccc(N(c%13ccccc%13)c%13ccc(-c%14ccc(N(c%15ccccc%15)c%15ccc(-n%16nc%17ccccc%17n%16)cc%15)cc%14)cc%13)cc%12)nc%11c%10)c9n8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C114H80N16/c115-107-27-13-14-28-108(107)117-116-90-53-36-81(37-54-90)84-42-59-97(60-43-84)124(91-18-5-1-6-19-91)95-55-38-82(39-56-95)79-32-34-80(35-33-79)83-40-57-96(58-41-83)125(92-20-7-2-8-21-92)98-61-48-87(49-62-98)88-50-67-103(68-51-88)130-121-112-31-17-26-106(114(112)123-130)89-52-77-111-113(78-89)122-129(120-111)105-75-71-102(72-76-105)127(94-24-11-4-12-25-94)100-65-46-86(47-66-100)85-44-63-99(64-45-85)126(93-22-9-3-10-23-93)101-69-73-104(74-70-101)128-118-109-29-15-16-30-110(109)119-128/h1-78,115-116H/b115-107+,117-108-
InChIKeyHNSZXCKDZSEEHP-KFMGGPOPSA-N
XLogP28.68
TPSA153.33 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001674.01
LogP ≤ 528.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline with MolForge

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Related Compounds

4-N-[4-[4-(N-(4-benzo[e]benzotriazol-2-ylphenyl)anilino)phenyl]phenyl]-1-N-[(Z)-(2-iminonaphthalen-1-ylidene)amino]-4-N-phenylbenzene-1,4-diamine
CID 146631116
N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
CID 144768912
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine
CID 153395124
3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline
CID 149332303
N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
CID 161309398
3-N-(9,9-dimethylfluoren-2-yl)-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]-3-N-[3-[(2Z)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]benzene-1,3-diamine
CID 155316652
N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
CID 144768909
2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine
CID 59653212
4-N-[4-[4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-ethyl-5-[(Z)-prop-1-enyl]triazol-2-yl]anilino]phenyl]phenyl]phenyl]-4-N-[(3E)-hexa-1,3,5-trien-3-yl]-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]benzene-1,4-diamine
CID 145386831
4-N-[4-[4-[N-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-N-[(3E)-hexa-1,3,5-trien-3-yl]-1-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]benzene-1,4-diamine
CID 145386812
2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine
CID 170254413
N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine
CID 155317863

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline?
The IUPAC name of 4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline (CID 166778150) is 4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline.
What is the SMILES notation for 4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline?
The canonical SMILES for 4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline is [H]/N=C1\C=CC=C\C1=N\Nc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(-n8nc9cccc(-c%10ccc%11nn(-c%12ccc(N(c%13ccccc%13)c%13ccc(-c%14ccc(N(c%15ccccc%15)c%15ccc(-n%16nc%17ccccc%17n%16)cc%15)cc%14)cc%13)cc%12)nc%11c%10)c9n8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline?
The InChIKey is HNSZXCKDZSEEHP-KFMGGPOPSA-N. The full InChI is InChI=1S/C114H80N16/c115-107-27-13-14-28-108(107)117-116-90-53-36-81(37-54-90)84-42-59-97(60-43-84)124(91-18-5-1-6-19-91)95-55-38-82(39-56-95)79-32-34-80(35-33-79)83-40-57-96(58-41-83)125(92-20-7-2-8-21-92)98-61-48-87(49-62-98)88-50-67-103(68-51-88)130-121-112-31-17-26-106(114(112)123-130)89-52-77-111-113(78-89)122-129(120-111)105-75-71-102(72-76-105)127(94-24-11-4-12-25-94)100-65-46-86(47-66-100)85-44-63-99(64-45-85)126(93-22-9-3-10-23-93)101-69-73-104(74-70-101)128-118-109-29-15-16-30-110(109)119-128/h1-78,115-116H/b115-107+,117-108-.
What are the key properties of 4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline?
4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline has a molecular weight of 1674.01 g/mol, XLogP of 28.68, 23 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-[4-[4-[4-(N-[4-[4-[4-[2-[4-(N-[4-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]benzotriazol-5-yl]benzotriazol-2-yl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]-N-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]aniline is sourced from PubChem (CID 166778150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).