9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole

C48H38N2O2 — CID 139539875

IUPAC9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole
SMILESC1=CCC2Oc3c(-c4cccc5c4c4c(n5-c5ccccc5)CCC=C4)cccc3C3(C2=C1)c1ccccc1Oc1cc(C2CC=CCN2)ccc13
InChIInChI=1S/C48H38N2O2/c1-2-14-32(15-3-1)50-41-23-7-4-16-35(41)46-33(17-13-24-42(46)50)34-18-12-21-39-47(34)52-44-26-9-6-20-37(44)48(39)36-19-5-8-25-43(36)51-45-30-31(27-28-38(45)48)40-22-10-11-29-49-40/h1-6,8-21,24-25,27-28,30,40,44,49H,7,22-23,26,29H2
InChIKeyYKAUODSPRYSLID-UHFFFAOYSA-N
MW674.84 g/mol
LogP10.93
Rot. Bonds3

About 9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole

9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole (PubChem CID 139539875) has the molecular formula C48H38N2O2 and a molecular weight of 674.84 g/mol. Its IUPAC name is 9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole
PubChem CID139539875
Molecular FormulaC48H38N2O2
Molecular Weight674.84 g/mol
Exact Mass674.29
IUPAC Name9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole
SMILESC1=CCC2Oc3c(-c4cccc5c4c4c(n5-c5ccccc5)CCC=C4)cccc3C3(C2=C1)c1ccccc1Oc1cc(C2CC=CCN2)ccc13
InChIInChI=1S/C48H38N2O2/c1-2-14-32(15-3-1)50-41-23-7-4-16-35(41)46-33(17-13-24-42(46)50)34-18-12-21-39-47(34)52-44-26-9-6-20-37(44)48(39)36-19-5-8-25-43(36)51-45-30-31(27-28-38(45)48)40-22-10-11-29-49-40/h1-6,8-21,24-25,27-28,30,40,44,49H,7,22-23,26,29H2
InChIKeyYKAUODSPRYSLID-UHFFFAOYSA-N
XLogP10.93
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.84
LogP ≤ 510.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole
CID 118861041
3-(4-cyclohexa-1,5-dien-1-ylspiro[1,2,3,4-tetrahydroxanthene-9,9'-5,10a-dihydroxanthene]-2'-yl)-9-phenyl-1,2,3,4,7,8-hexahydrocarbazole
CID 135159160
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole
CID 118698170
3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole
CID 118860801
8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole
CID 135159497
9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole
CID 118860674
10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one
CID 142288778
10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one
CID 142288765
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
CID 118698161
9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole
CID 118860963
N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine
CID 144831039
N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195728

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole?
The IUPAC name of 9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole (CID 139539875) is 9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole is C1=CCC2Oc3c(-c4cccc5c4c4c(n5-c5ccccc5)CCC=C4)cccc3C3(C2=C1)c1ccccc1Oc1cc(C2CC=CCN2)ccc13.
What is the InChIKey of 9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole?
The InChIKey is YKAUODSPRYSLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2O2/c1-2-14-32(15-3-1)50-41-23-7-4-16-35(41)46-33(17-13-24-42(46)50)34-18-12-21-39-47(34)52-44-26-9-6-20-37(44)48(39)36-19-5-8-25-43(36)51-45-30-31(27-28-38(45)48)40-22-10-11-29-49-40/h1-6,8-21,24-25,27-28,30,40,44,49H,7,22-23,26,29H2.
What are the key properties of 9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole?
9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole has a molecular weight of 674.84 g/mol, XLogP of 10.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 139539875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).