9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole

C49H33NO2 — CID 118860963

IUPAC9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole
SMILESC1=C(c2ccccc2)CCC2=C1C1(c3ccccc3O2)c2ccccc2Oc2c(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cccc21
InChIInChI=1S/C49H33NO2/c1-3-15-32(16-4-1)33-29-30-46-42(31-33)49(39-23-8-11-27-44(39)51-46)40-24-9-12-28-45(40)52-48-38(22-14-25-41(48)49)37-21-13-20-36-35-19-7-10-26-43(35)50(47(36)37)34-17-5-2-6-18-34/h1-28,31H,29-30H2
InChIKeyLMEAMCGMNHCNBI-UHFFFAOYSA-N
MW667.81 g/mol
LogP12.41
Rot. Bonds3

About 9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole

9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole (PubChem CID 118860963) has the molecular formula C49H33NO2 and a molecular weight of 667.81 g/mol. Its IUPAC name is 9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole
PubChem CID118860963
Molecular FormulaC49H33NO2
Molecular Weight667.81 g/mol
Exact Mass667.25
IUPAC Name9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole
SMILESC1=C(c2ccccc2)CCC2=C1C1(c3ccccc3O2)c2ccccc2Oc2c(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cccc21
InChIInChI=1S/C49H33NO2/c1-3-15-32(16-4-1)33-29-30-46-42(31-33)49(39-23-8-11-27-44(39)51-46)40-24-9-12-28-45(40)52-48-38(22-14-25-41(48)49)37-21-13-20-36-35-19-7-10-26-43(35)50(47(36)37)34-17-5-2-6-18-34/h1-28,31H,29-30H2
InChIKeyLMEAMCGMNHCNBI-UHFFFAOYSA-N
XLogP12.41
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-1-(1-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-1-(2'-phenyl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-1-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole;9-phenyl-1-(4'-phenyl-9,9'-spirobi[xanthene]-3-yl)carbazole
CID 160615225
9-phenyl-1-(1'-phenyl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-1-(2-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-1-(3-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-1-(4'-phenyl-9,9'-spirobi[xanthene]-1-yl)carbazole
CID 157405782
1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole
CID 118698619
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole
CID 118698170
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
3',5'-bis(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146656087
13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
CID 158807810
4'-[6-[9',9'-dimethyl-1'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-5-yl]-9-phenylcarbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 156541745
N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline
CID 134351711
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole?
The IUPAC name of 9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole (CID 118860963) is 9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole.
What is the SMILES notation for 9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole?
The canonical SMILES for 9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole is C1=C(c2ccccc2)CCC2=C1C1(c3ccccc3O2)c2ccccc2Oc2c(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cccc21.
What is the InChIKey of 9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole?
The InChIKey is LMEAMCGMNHCNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO2/c1-3-15-32(16-4-1)33-29-30-46-42(31-33)49(39-23-8-11-27-44(39)51-46)40-24-9-12-28-45(40)52-48-38(22-14-25-41(48)49)37-21-13-20-36-35-19-7-10-26-43(35)50(47(36)37)34-17-5-2-6-18-34/h1-28,31H,29-30H2.
What are the key properties of 9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole?
9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole has a molecular weight of 667.81 g/mol, XLogP of 12.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole is sourced from PubChem (CID 118860963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).