8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline

C49H37NO — CID 146495583

IUPAC8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline
SMILESCC1(C)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2cc(-c3ccccc3-c3ccc(C4=CC=CC5=CC=CNC54)cc3)ccc21
InChIInChI=1S/C49H37NO/c1-48(2)39-18-5-6-19-41(39)49(42-20-7-9-22-45(42)51-46-23-10-8-21-43(46)49)44-31-35(28-29-40(44)48)37-16-4-3-15-36(37)32-24-26-33(27-25-32)38-17-11-13-34-14-12-30-50-47(34)38/h3-31,47,50H,1-2H3
InChIKeySRWSXDWRDPCHCW-UHFFFAOYSA-N
MW655.84 g/mol
LogP11.51
Rot. Bonds3

About 8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline

8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline (PubChem CID 146495583) has the molecular formula C49H37NO and a molecular weight of 655.84 g/mol. Its IUPAC name is 8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline.

Molecular Properties

Compound Name8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline
PubChem CID146495583
Molecular FormulaC49H37NO
Molecular Weight655.84 g/mol
Exact Mass655.29
IUPAC Name8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline
SMILESCC1(C)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2cc(-c3ccccc3-c3ccc(C4=CC=CC5=CC=CNC54)cc3)ccc21
InChIInChI=1S/C49H37NO/c1-48(2)39-18-5-6-19-41(39)49(42-20-7-9-22-45(42)51-46-23-10-8-21-43(46)49)44-31-35(28-29-40(44)48)37-16-4-3-15-36(37)32-24-26-33(27-25-32)38-17-11-13-34-14-12-30-50-47(34)38/h3-31,47,50H,1-2H3
InChIKeySRWSXDWRDPCHCW-UHFFFAOYSA-N
XLogP11.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.84
LogP ≤ 511.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
CID 166996088
2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 146494816
9,9,10,10-tetramethyl-2,6-bis(2-phenylphenyl)anthracene
CID 59649045
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
CID 177127900
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene
CID 170032976
4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)benzonitrile
CID 146495138
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274910
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline
CID 146495577
2-[3-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-1-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146494826

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline?
The IUPAC name of 8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline (CID 146495583) is 8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline.
What is the SMILES notation for 8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline?
The canonical SMILES for 8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline is CC1(C)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2cc(-c3ccccc3-c3ccc(C4=CC=CC5=CC=CNC54)cc3)ccc21.
What is the InChIKey of 8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline?
The InChIKey is SRWSXDWRDPCHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37NO/c1-48(2)39-18-5-6-19-41(39)49(42-20-7-9-22-45(42)51-46-23-10-8-21-43(46)49)44-31-35(28-29-40(44)48)37-16-4-3-15-36(37)32-24-26-33(27-25-32)38-17-11-13-34-14-12-30-50-47(34)38/h3-31,47,50H,1-2H3.
What are the key properties of 8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline?
8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline has a molecular weight of 655.84 g/mol, XLogP of 11.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)phenyl]phenyl]-1,8a-dihydroquinoline is sourced from PubChem (CID 146495583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).