(9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]

C92H64N2 — CID 58879564

IUPAC(9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESCc1cc2c(cc1C)[C@@]1(c3cc(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc5c(c4)[C@@]4(c6cc(-c7ccc(C=C(c8ccccc8)c8ccccc8)cc7)ccc6-5)c5cc(C)c(C)cc5-c5cccnc54)cc31)c1ncccc1-2
InChIInChI=1S/C92H64N2/c1-57-47-81-77-27-17-45-93-89(77)91(83(81)49-59(57)3)85-53-69(63-33-29-61(30-34-63)51-79(65-19-9-5-10-20-65)66-21-11-6-12-22-66)37-41-73(85)75-43-39-71(55-87(75)91)72-40-44-76-74-42-38-70(64-35-31-62(32-36-64)52-80(67-23-13-7-14-24-67)68-25-15-8-16-26-68)54-86(74)92(88(76)56-72)84-50-60(4)58(2)48-82(84)78-28-18-46-94-90(78)92/h5-56H,1-4H3/t91-,92-/m0/s1
InChIKeyGUNWIXAQJMRWIV-UMWVXVFLSA-N
MW1197.54 g/mol
LogP22.58
Rot. Bonds9

About (9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]

(9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] (PubChem CID 58879564) has the molecular formula C92H64N2 and a molecular weight of 1197.54 g/mol. Its IUPAC name is (9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine].

Molecular Properties

Compound Name(9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
PubChem CID58879564
Molecular FormulaC92H64N2
Molecular Weight1197.54 g/mol
Exact Mass1196.51
IUPAC Name(9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESCc1cc2c(cc1C)[C@@]1(c3cc(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc5c(c4)[C@@]4(c6cc(-c7ccc(C=C(c8ccccc8)c8ccccc8)cc7)ccc6-5)c5cc(C)c(C)cc5-c5cccnc54)cc31)c1ncccc1-2
InChIInChI=1S/C92H64N2/c1-57-47-81-77-27-17-45-93-89(77)91(83(81)49-59(57)3)85-53-69(63-33-29-61(30-34-63)51-79(65-19-9-5-10-20-65)66-21-11-6-12-22-66)37-41-73(85)75-43-39-71(55-87(75)91)72-40-44-76-74-42-38-70(64-35-31-62(32-36-64)52-80(67-23-13-7-14-24-67)68-25-15-8-16-26-68)54-86(74)92(88(76)56-72)84-50-60(4)58(2)48-82(84)78-28-18-46-94-90(78)92/h5-56H,1-4H3/t91-,92-/m0/s1
InChIKeyGUNWIXAQJMRWIV-UMWVXVFLSA-N
XLogP22.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.54
LogP ≤ 522.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] 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 (9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The IUPAC name of (9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] (CID 58879564) is (9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine].
What is the SMILES notation for (9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The canonical SMILES for (9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] is Cc1cc2c(cc1C)[C@@]1(c3cc(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc5c(c4)[C@@]4(c6cc(-c7ccc(C=C(c8ccccc8)c8ccccc8)cc7)ccc6-5)c5cc(C)c(C)cc5-c5cccnc54)cc31)c1ncccc1-2.
What is the InChIKey of (9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The InChIKey is GUNWIXAQJMRWIV-UMWVXVFLSA-N. The full InChI is InChI=1S/C92H64N2/c1-57-47-81-77-27-17-45-93-89(77)91(83(81)49-59(57)3)85-53-69(63-33-29-61(30-34-63)51-79(65-19-9-5-10-20-65)66-21-11-6-12-22-66)37-41-73(85)75-43-39-71(55-87(75)91)72-40-44-76-74-42-38-70(64-35-31-62(32-36-64)52-80(67-23-13-7-14-24-67)68-25-15-8-16-26-68)54-86(74)92(88(76)56-72)84-50-60(4)58(2)48-82(84)78-28-18-46-94-90(78)92/h5-56H,1-4H3/t91-,92-/m0/s1.
What are the key properties of (9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
(9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] has a molecular weight of 1197.54 g/mol, XLogP of 22.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-2-[4-(2,2-diphenylethenyl)phenyl]-7-[(9S)-7-[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] is sourced from PubChem (CID 58879564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).