1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane

C160H140-6 — CID 134940273

IUPAC1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane
SMILESc1c[cH-]c(-c2ccc(C34CCC(c5ccc(-c6ccc(-c7c(-c8ccc(-c9ccc(C%10%11CCC(c%12ccc(-c%13cc[cH-]c%13)cc%12)(CC%10)CC%11)cc9)cc8)c(-c8ccc(-c9ccc(C%10%11CCC(c%12ccc(-c%13cc[cH-]c%13)cc%12)(CC%10)CC%11)cc9)cc8)c(-c8ccc(-c9ccc(C%10%11CCC(c%12ccc(-c%13cc[cH-]c%13)cc%12)(CC%10)CC%11)cc9)cc8)[c-]7-c7ccc(-c8ccc(C9%10CCC(c%11ccc(-[c-]%12cccc%12)cc%11)(CC9)CC%10)cc8)cc7)cc6)cc5)(CC3)CC4)cc2)c1
InChIInChI=1S/C160H140/c1-2-12-111(11-1)121-41-61-136(62-42-121)151-81-96-156(97-82-151,98-83-151)141-71-51-126(52-72-141)116-21-31-131(32-22-116)146-147(132-33-23-117(24-34-132)127-53-73-142(74-54-127)157-99-84-152(85-100-157,86-101-157)137-63-43-122(44-64-137)112-13-3-4-14-112)149(134-37-27-119(28-38-134)129-57-77-144(78-58-129)159-105-90-154(91-106-159,92-107-159)139-67-47-124(48-68-139)114-17-7-8-18-114)150(135-39-29-120(30-40-135)130-59-79-145(80-60-130)160-108-93-155(94-109-160,95-110-160)140-69-49-125(50-70-140)115-19-9-10-20-115)148(146)133-35-25-118(26-36-133)128-55-75-143(76-56-128)158-102-87-153(88-103-158,89-104-158)138-65-45-123(46-66-138)113-15-5-6-16-113/h1-80H,81-110H2/q-6
InChIKeyKHJZNGATDIZWKM-UHFFFAOYSA-N
MW2062.88 g/mol
LogP42.72
Rot. Bonds25

About 1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane

1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane (PubChem CID 134940273) has the molecular formula C160H140-6 and a molecular weight of 2062.88 g/mol. Its IUPAC name is 1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane
PubChem CID134940273
Molecular FormulaC160H140-6
Molecular Weight2062.88 g/mol
Exact Mass2061.10
IUPAC Name1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane
SMILESc1c[cH-]c(-c2ccc(C34CCC(c5ccc(-c6ccc(-c7c(-c8ccc(-c9ccc(C%10%11CCC(c%12ccc(-c%13cc[cH-]c%13)cc%12)(CC%10)CC%11)cc9)cc8)c(-c8ccc(-c9ccc(C%10%11CCC(c%12ccc(-c%13cc[cH-]c%13)cc%12)(CC%10)CC%11)cc9)cc8)c(-c8ccc(-c9ccc(C%10%11CCC(c%12ccc(-c%13cc[cH-]c%13)cc%12)(CC%10)CC%11)cc9)cc8)[c-]7-c7ccc(-c8ccc(C9%10CCC(c%11ccc(-[c-]%12cccc%12)cc%11)(CC9)CC%10)cc8)cc7)cc6)cc5)(CC3)CC4)cc2)c1
InChIInChI=1S/C160H140/c1-2-12-111(11-1)121-41-61-136(62-42-121)151-81-96-156(97-82-151,98-83-151)141-71-51-126(52-72-141)116-21-31-131(32-22-116)146-147(132-33-23-117(24-34-132)127-53-73-142(74-54-127)157-99-84-152(85-100-157,86-101-157)137-63-43-122(44-64-137)112-13-3-4-14-112)149(134-37-27-119(28-38-134)129-57-77-144(78-58-129)159-105-90-154(91-106-159,92-107-159)139-67-47-124(48-68-139)114-17-7-8-18-114)150(135-39-29-120(30-40-135)130-59-79-145(80-60-130)160-108-93-155(94-109-160,95-110-160)140-69-49-125(50-70-140)115-19-9-10-20-115)148(146)133-35-25-118(26-36-133)128-55-75-143(76-56-128)158-102-87-153(88-103-158,89-104-158)138-65-45-123(46-66-138)113-15-5-6-16-113/h1-80H,81-110H2/q-6
InChIKeyKHJZNGATDIZWKM-UHFFFAOYSA-N
XLogP42.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002062.88
LogP ≤ 542.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane?
The IUPAC name of 1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane (CID 134940273) is 1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane.
What is the SMILES notation for 1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane?
The canonical SMILES for 1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane is c1c[cH-]c(-c2ccc(C34CCC(c5ccc(-c6ccc(-c7c(-c8ccc(-c9ccc(C%10%11CCC(c%12ccc(-c%13cc[cH-]c%13)cc%12)(CC%10)CC%11)cc9)cc8)c(-c8ccc(-c9ccc(C%10%11CCC(c%12ccc(-c%13cc[cH-]c%13)cc%12)(CC%10)CC%11)cc9)cc8)c(-c8ccc(-c9ccc(C%10%11CCC(c%12ccc(-c%13cc[cH-]c%13)cc%12)(CC%10)CC%11)cc9)cc8)[c-]7-c7ccc(-c8ccc(C9%10CCC(c%11ccc(-[c-]%12cccc%12)cc%11)(CC9)CC%10)cc8)cc7)cc6)cc5)(CC3)CC4)cc2)c1.
What is the InChIKey of 1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane?
The InChIKey is KHJZNGATDIZWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C160H140/c1-2-12-111(11-1)121-41-61-136(62-42-121)151-81-96-156(97-82-151,98-83-151)141-71-51-126(52-72-141)116-21-31-131(32-22-116)146-147(132-33-23-117(24-34-132)127-53-73-142(74-54-127)157-99-84-152(85-100-157,86-101-157)137-63-43-122(44-64-137)112-13-3-4-14-112)149(134-37-27-119(28-38-134)129-57-77-144(78-58-129)159-105-90-154(91-106-159,92-107-159)139-67-47-124(48-68-139)114-17-7-8-18-114)150(135-39-29-120(30-40-135)130-59-79-145(80-60-130)160-108-93-155(94-109-160,95-110-160)140-69-49-125(50-70-140)115-19-9-10-20-115)148(146)133-35-25-118(26-36-133)128-55-75-143(76-56-128)158-102-87-153(88-103-158,89-104-158)138-65-45-123(46-66-138)113-15-5-6-16-113/h1-80H,81-110H2/q-6.
What are the key properties of 1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane?
1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane has a molecular weight of 2062.88 g/mol, XLogP of 42.72, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopenta-1,4-dien-1-ylphenyl)-4-[4-[4-[4-[4-[4-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-2,5-bis[4-[4-[4-(4-cyclopenta-1,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]-3-[4-[4-[4-(4-cyclopenta-2,4-dien-1-ylphenyl)-1-bicyclo[2.2.2]octanyl]phenyl]phenyl]cyclopenta-1,4-dien-1-yl]phenyl]phenyl]bicyclo[2.2.2]octane is sourced from PubChem (CID 134940273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).