3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole

C121H72N4 — CID 174262035

IUPAC3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole
SMILESC#Cc1ccc2c(c1)/C(=C\c1c[nH]c3ccccc13)c1cc(-c3ccc(C(c4ccc(-c5ccc6c(c5)/C(=C/c5c[nH]c7ccccc57)c5cc(C#C)ccc5-6)cc4)(c4ccc(-c5ccc6c(c5)/C(=C/c5c[nH]c7ccccc57)c5cc(C#C)ccc5-6)cc4)c4ccc(-c5ccc6c(c5)/C(=C/c5c[nH]c7ccccc57)c5cc(C#C)ccc5-6)cc4)cc3)ccc1-2
InChIInChI=1S/C121H72N4/c1-5-73-25-49-97-101-53-37-81(61-109(101)113(105(97)57-73)65-85-69-122-117-21-13-9-17-93(85)117)77-29-41-89(42-30-77)121(90-43-31-78(32-44-90)82-38-54-102-98-50-26-74(6-2)58-106(98)114(110(102)62-82)66-86-70-123-118-22-14-10-18-94(86)118,91-45-33-79(34-46-91)83-39-55-103-99-51-27-75(7-3)59-107(99)115(111(103)63-83)67-87-71-124-119-23-15-11-19-95(87)119)92-47-35-80(36-48-92)84-40-56-104-100-52-28-76(8-4)60-108(100)116(112(104)64-84)68-88-72-125-120-24-16-12-20-96(88)120/h1-4,9-72,122-125H/b113-65+,114-66+,115-67+,116-68+
InChIKeyCTQJQZRVPMXHKV-HCVCSDAKSA-N
MW1581.93 g/mol
LogP28.86
Rot. Bonds12

About 3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole

3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole (PubChem CID 174262035) has the molecular formula C121H72N4 and a molecular weight of 1581.93 g/mol. Its IUPAC name is 3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole.

Molecular Properties

Compound Name3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole
PubChem CID174262035
Molecular FormulaC121H72N4
Molecular Weight1581.93 g/mol
Exact Mass1580.58
IUPAC Name3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole
SMILESC#Cc1ccc2c(c1)/C(=C\c1c[nH]c3ccccc13)c1cc(-c3ccc(C(c4ccc(-c5ccc6c(c5)/C(=C/c5c[nH]c7ccccc57)c5cc(C#C)ccc5-6)cc4)(c4ccc(-c5ccc6c(c5)/C(=C/c5c[nH]c7ccccc57)c5cc(C#C)ccc5-6)cc4)c4ccc(-c5ccc6c(c5)/C(=C/c5c[nH]c7ccccc57)c5cc(C#C)ccc5-6)cc4)cc3)ccc1-2
InChIInChI=1S/C121H72N4/c1-5-73-25-49-97-101-53-37-81(61-109(101)113(105(97)57-73)65-85-69-122-117-21-13-9-17-93(85)117)77-29-41-89(42-30-77)121(90-43-31-78(32-44-90)82-38-54-102-98-50-26-74(6-2)58-106(98)114(110(102)62-82)66-86-70-123-118-22-14-10-18-94(86)118,91-45-33-79(34-46-91)83-39-55-103-99-51-27-75(7-3)59-107(99)115(111(103)63-83)67-87-71-124-119-23-15-11-19-95(87)119)92-47-35-80(36-48-92)84-40-56-104-100-52-28-76(8-4)60-108(100)116(112(104)64-84)68-88-72-125-120-24-16-12-20-96(88)120/h1-4,9-72,122-125H/b113-65+,114-66+,115-67+,116-68+
InChIKeyCTQJQZRVPMXHKV-HCVCSDAKSA-N
XLogP28.86
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001581.93
LogP ≤ 528.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole 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 3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole?
The IUPAC name of 3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole (CID 174262035) is 3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole.
What is the SMILES notation for 3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole?
The canonical SMILES for 3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole is C#Cc1ccc2c(c1)/C(=C\c1c[nH]c3ccccc13)c1cc(-c3ccc(C(c4ccc(-c5ccc6c(c5)/C(=C/c5c[nH]c7ccccc57)c5cc(C#C)ccc5-6)cc4)(c4ccc(-c5ccc6c(c5)/C(=C/c5c[nH]c7ccccc57)c5cc(C#C)ccc5-6)cc4)c4ccc(-c5ccc6c(c5)/C(=C/c5c[nH]c7ccccc57)c5cc(C#C)ccc5-6)cc4)cc3)ccc1-2.
What is the InChIKey of 3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole?
The InChIKey is CTQJQZRVPMXHKV-HCVCSDAKSA-N. The full InChI is InChI=1S/C121H72N4/c1-5-73-25-49-97-101-53-37-81(61-109(101)113(105(97)57-73)65-85-69-122-117-21-13-9-17-93(85)117)77-29-41-89(42-30-77)121(90-43-31-78(32-44-90)82-38-54-102-98-50-26-74(6-2)58-106(98)114(110(102)62-82)66-86-70-123-118-22-14-10-18-94(86)118,91-45-33-79(34-46-91)83-39-55-103-99-51-27-75(7-3)59-107(99)115(111(103)63-83)67-87-71-124-119-23-15-11-19-95(87)119)92-47-35-80(36-48-92)84-40-56-104-100-52-28-76(8-4)60-108(100)116(112(104)64-84)68-88-72-125-120-24-16-12-20-96(88)120/h1-4,9-72,122-125H/b113-65+,114-66+,115-67+,116-68+.
What are the key properties of 3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole?
3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole has a molecular weight of 1581.93 g/mol, XLogP of 28.86, 12 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[2-ethynyl-7-[4-[tris[4-[(9E)-7-ethynyl-9-(1H-indol-3-ylmethylidene)fluoren-2-yl]phenyl]methyl]phenyl]fluoren-9-ylidene]methyl]-1H-indole is sourced from PubChem (CID 174262035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).