1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene

C138H112 — CID 101407026

IUPAC1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
SMILESCC(C)(c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(/C=C/c5ccc(/C=C/c6ccc(/C=C/c7ccc(/C=C/c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1)C(C)(C)c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(/C=C/c5ccc(/C=C/c6ccc(/C=C/c7ccc(/C=C/c8ccc(/C=C/c9ccccc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C138H112/c1-137(2,135-101-97-133(98-102-135)95-93-131-89-85-129(86-90-131)83-81-127-77-73-125(74-78-127)71-69-123-65-61-121(62-66-123)54-52-118-49-45-116(46-50-118)42-40-114-37-33-112(34-38-114)30-28-110-25-21-108(22-26-110)18-16-106-13-9-6-10-14-106)138(3,4)136-103-99-134(100-104-136)96-94-132-91-87-130(88-92-132)84-82-128-79-75-126(76-80-128)72-70-124-67-63-122(64-68-124)60-59-120-57-55-119(56-58-120)53-51-117-47-43-115(44-48-117)41-39-113-35-31-111(32-36-113)29-27-109-23-19-107(20-24-109)17-15-105-11-7-5-8-12-105/h5-104H,1-4H3/b17-15+,18-16+,29-27+,30-28+,41-39+,42-40+,53-51+,54-52+,60-59+,71-69+,72-70+,83-81+,84-82+,95-93+,96-94+
InChIKeyXNKPFSCRCIURKN-WHLSCMLSSA-N
MW1770.41 g/mol
LogP37.50
Rot. Bonds33

About 1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene

1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene (PubChem CID 101407026) has the molecular formula C138H112 and a molecular weight of 1770.41 g/mol. Its IUPAC name is 1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
PubChem CID101407026
Molecular FormulaC138H112
Molecular Weight1770.41 g/mol
Exact Mass1768.88
IUPAC Name1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
SMILESCC(C)(c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(/C=C/c5ccc(/C=C/c6ccc(/C=C/c7ccc(/C=C/c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1)C(C)(C)c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(/C=C/c5ccc(/C=C/c6ccc(/C=C/c7ccc(/C=C/c8ccc(/C=C/c9ccccc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C138H112/c1-137(2,135-101-97-133(98-102-135)95-93-131-89-85-129(86-90-131)83-81-127-77-73-125(74-78-127)71-69-123-65-61-121(62-66-123)54-52-118-49-45-116(46-50-118)42-40-114-37-33-112(34-38-114)30-28-110-25-21-108(22-26-110)18-16-106-13-9-6-10-14-106)138(3,4)136-103-99-134(100-104-136)96-94-132-91-87-130(88-92-132)84-82-128-79-75-126(76-80-128)72-70-124-67-63-122(64-68-124)60-59-120-57-55-119(56-58-120)53-51-117-47-43-115(44-48-117)41-39-113-35-31-111(32-36-113)29-27-109-23-19-107(20-24-109)17-15-105-11-7-5-8-12-105/h5-104H,1-4H3/b17-15+,18-16+,29-27+,30-28+,41-39+,42-40+,53-51+,54-52+,60-59+,71-69+,72-70+,83-81+,84-82+,95-93+,96-94+
InChIKeyXNKPFSCRCIURKN-WHLSCMLSSA-N
XLogP37.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001770.41
LogP ≤ 537.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene 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

1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine
CID 70641823
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 164762812
N,N-dimethylmethanamine;stilbene
CID 174368184
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
disodium;hydride;(E)-stilbene
CID 173089328
hydride;rubidium(1+);stilbene
CID 173437843
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine
CID 59538618
2-methyl-2,4-diphenylbut-3-enal
CID 154114517

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene (CID 101407026) is 1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene is CC(C)(c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(/C=C/c5ccc(/C=C/c6ccc(/C=C/c7ccc(/C=C/c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1)C(C)(C)c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(/C=C/c5ccc(/C=C/c6ccc(/C=C/c7ccc(/C=C/c8ccc(/C=C/c9ccccc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene?
The InChIKey is XNKPFSCRCIURKN-WHLSCMLSSA-N. The full InChI is InChI=1S/C138H112/c1-137(2,135-101-97-133(98-102-135)95-93-131-89-85-129(86-90-131)83-81-127-77-73-125(74-78-127)71-69-123-65-61-121(62-66-123)54-52-118-49-45-116(46-50-118)42-40-114-37-33-112(34-38-114)30-28-110-25-21-108(22-26-110)18-16-106-13-9-6-10-14-106)138(3,4)136-103-99-134(100-104-136)96-94-132-91-87-130(88-92-132)84-82-128-79-75-126(76-80-128)72-70-124-67-63-122(64-68-124)60-59-120-57-55-119(56-58-120)53-51-117-47-43-115(44-48-117)41-39-113-35-31-111(32-36-113)29-27-109-23-19-107(20-24-109)17-15-105-11-7-5-8-12-105/h5-104H,1-4H3/b17-15+,18-16+,29-27+,30-28+,41-39+,42-40+,53-51+,54-52+,60-59+,71-69+,72-70+,83-81+,84-82+,95-93+,96-94+.
What are the key properties of 1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene?
1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene has a molecular weight of 1770.41 g/mol, XLogP of 37.50, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 101407026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).