3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole]

C48H46N4O6 — CID 58177724

IUPAC3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole]
SMILESCc1ccc2c(c1)C(C)(C)C1(C=Cc3cc([N+](=O)[O-])cc(C)c3O1)N2Cc1ccc(CN2c3ccc(C)cc3C(C)(C)C23C=Cc2cc([N+](=O)[O-])cc(C)c2O3)cc1
InChIInChI=1S/C48H46N4O6/c1-29-9-15-41-39(21-29)45(5,6)47(19-17-35-25-37(51(53)54)23-31(3)43(35)57-47)49(41)27-33-11-13-34(14-12-33)28-50-42-16-10-30(2)22-40(42)46(7,8)48(50)20-18-36-26-38(52(55)56)24-32(4)44(36)58-48/h9-26H,27-28H2,1-8H3
InChIKeyCQFNQWMRGQXZID-UHFFFAOYSA-N
MW774.92 g/mol
LogP10.94
Rot. Bonds6

About 3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole]

3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole] (PubChem CID 58177724) has the molecular formula C48H46N4O6 and a molecular weight of 774.92 g/mol. Its IUPAC name is 3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole].

Molecular Properties

Compound Name3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole]
PubChem CID58177724
Molecular FormulaC48H46N4O6
Molecular Weight774.92 g/mol
Exact Mass774.34
IUPAC Name3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole]
SMILESCc1ccc2c(c1)C(C)(C)C1(C=Cc3cc([N+](=O)[O-])cc(C)c3O1)N2Cc1ccc(CN2c3ccc(C)cc3C(C)(C)C23C=Cc2cc([N+](=O)[O-])cc(C)c2O3)cc1
InChIInChI=1S/C48H46N4O6/c1-29-9-15-41-39(21-29)45(5,6)47(19-17-35-25-37(51(53)54)23-31(3)43(35)57-47)49(41)27-33-11-13-34(14-12-33)28-50-42-16-10-30(2)22-40(42)46(7,8)48(50)20-18-36-26-38(52(55)56)24-32(4)44(36)58-48/h9-26H,27-28H2,1-8H3
InChIKeyCQFNQWMRGQXZID-UHFFFAOYSA-N
XLogP10.94
TPSA111.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.92
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole] with MolForge

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Related Compounds

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CID 2753205
CID 2753205
CID 3104863
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CID 5014937
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CID 12274061
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CID 19083783
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CID 19084039
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CID 19084055
CID 19084055

Frequently Asked Questions

What is the IUPAC name of 3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole]?
The IUPAC name of 3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole] (CID 58177724) is 3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole].
What is the SMILES notation for 3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole]?
The canonical SMILES for 3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole] is Cc1ccc2c(c1)C(C)(C)C1(C=Cc3cc([N+](=O)[O-])cc(C)c3O1)N2Cc1ccc(CN2c3ccc(C)cc3C(C)(C)C23C=Cc2cc([N+](=O)[O-])cc(C)c2O3)cc1.
What is the InChIKey of 3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole]?
The InChIKey is CQFNQWMRGQXZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46N4O6/c1-29-9-15-41-39(21-29)45(5,6)47(19-17-35-25-37(51(53)54)23-31(3)43(35)57-47)49(41)27-33-11-13-34(14-12-33)28-50-42-16-10-30(2)22-40(42)46(7,8)48(50)20-18-36-26-38(52(55)56)24-32(4)44(36)58-48/h9-26H,27-28H2,1-8H3.
What are the key properties of 3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole]?
3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole] has a molecular weight of 774.92 g/mol, XLogP of 10.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3',3',5',8-tetramethyl-6-nitro-1'-[[4-[(3',3',5',8-tetramethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]spiro[chromene-2,2'-indole] is sourced from PubChem (CID 58177724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).