(9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]

C92H64N2 — CID 58879538

IUPAC(9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESCc1cc2c(cc1C)[C@@]1(c3cc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)ccc3-c3ccc(-c4ccc5c(c4)[C@@]4(c6cc(C(=C(c7ccccc7)c7ccccc7)c7ccccc7)ccc6-5)c5cc(C)c(C)cc5-c5cccnc54)cc31)c1ncccc1-2
InChIInChI=1S/C92H64N2/c1-57-49-77-75-37-23-47-93-89(75)91(79(77)51-59(57)3)81-53-67(39-43-71(81)73-45-41-69(55-83(73)91)87(65-33-19-9-20-34-65)85(61-25-11-5-12-26-61)62-27-13-6-14-28-62)68-40-44-72-74-46-42-70(88(66-35-21-10-22-36-66)86(63-29-15-7-16-30-63)64-31-17-8-18-32-64)56-84(74)92(82(72)54-68)80-52-60(4)58(2)50-78(80)76-38-24-48-94-90(76)92/h5-56H,1-4H3/t91-,92-/m1/s1
InChIKeyWLWMNLSWXRMKEB-JALKXXPTSA-N
MW1197.54 g/mol
LogP22.08
Rot. Bonds9

About (9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]

(9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine] (PubChem CID 58879538) has the molecular formula C92H64N2 and a molecular weight of 1197.54 g/mol. Its IUPAC name is (9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine].

Molecular Properties

Compound Name(9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
PubChem CID58879538
Molecular FormulaC92H64N2
Molecular Weight1197.54 g/mol
Exact Mass1196.51
IUPAC Name(9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESCc1cc2c(cc1C)[C@@]1(c3cc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)ccc3-c3ccc(-c4ccc5c(c4)[C@@]4(c6cc(C(=C(c7ccccc7)c7ccccc7)c7ccccc7)ccc6-5)c5cc(C)c(C)cc5-c5cccnc54)cc31)c1ncccc1-2
InChIInChI=1S/C92H64N2/c1-57-49-77-75-37-23-47-93-89(75)91(79(77)51-59(57)3)81-53-67(39-43-71(81)73-45-41-69(55-83(73)91)87(65-33-19-9-20-34-65)85(61-25-11-5-12-26-61)62-27-13-6-14-28-62)68-40-44-72-74-46-42-70(88(66-35-21-10-22-36-66)86(63-29-15-7-16-30-63)64-31-17-8-18-32-64)56-84(74)92(82(72)54-68)80-52-60(4)58(2)50-78(80)76-38-24-48-94-90(76)92/h5-56H,1-4H3/t91-,92-/m1/s1
InChIKeyWLWMNLSWXRMKEB-JALKXXPTSA-N
XLogP22.08
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 ≤ 522.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The IUPAC name of (9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine] (CID 58879538) is (9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine].
What is the SMILES notation for (9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The canonical SMILES for (9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine] is Cc1cc2c(cc1C)[C@@]1(c3cc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)ccc3-c3ccc(-c4ccc5c(c4)[C@@]4(c6cc(C(=C(c7ccccc7)c7ccccc7)c7ccccc7)ccc6-5)c5cc(C)c(C)cc5-c5cccnc54)cc31)c1ncccc1-2.
What is the InChIKey of (9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The InChIKey is WLWMNLSWXRMKEB-JALKXXPTSA-N. The full InChI is InChI=1S/C92H64N2/c1-57-49-77-75-37-23-47-93-89(75)91(79(77)51-59(57)3)81-53-67(39-43-71(81)73-45-41-69(55-83(73)91)87(65-33-19-9-20-34-65)85(61-25-11-5-12-26-61)62-27-13-6-14-28-62)68-40-44-72-74-46-42-70(88(66-35-21-10-22-36-66)86(63-29-15-7-16-30-63)64-31-17-8-18-32-64)56-84(74)92(82(72)54-68)80-52-60(4)58(2)50-78(80)76-38-24-48-94-90(76)92/h5-56H,1-4H3/t91-,92-/m1/s1.
What are the key properties of (9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
(9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine] has a molecular weight of 1197.54 g/mol, XLogP of 22.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-2-[(9R)-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethyl-7-(1,2,2-triphenylethenyl)spiro[fluorene-9,9'-indeno[2,1-b]pyridine] is sourced from PubChem (CID 58879538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).