9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole

C49H37NO2 — CID 118861144

IUPAC9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole
SMILESC1=CCC2C(=C1)OC1=C(CCC=C1)C21C2=C(C=C(c3ccccc3)CC2)Oc2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C49H37NO2/c1-3-13-32(14-4-1)35-24-27-41-48(31-35)52-47-28-25-33(29-42(47)49(41)39-18-8-11-21-45(39)51-46-22-12-9-19-40(46)49)34-23-26-38-37-17-7-10-20-43(37)50(44(38)30-34)36-15-5-2-6-16-36/h1-8,10-17,20-23,25-26,28-31,39H,9,18-19,24,27H2
InChIKeyBUAMJNHPOLGNGT-UHFFFAOYSA-N
MW671.84 g/mol
LogP12.31
Rot. Bonds3

About 9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole

9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole (PubChem CID 118861144) has the molecular formula C49H37NO2 and a molecular weight of 671.84 g/mol. Its IUPAC name is 9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole
PubChem CID118861144
Molecular FormulaC49H37NO2
Molecular Weight671.84 g/mol
Exact Mass671.28
IUPAC Name9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole
SMILESC1=CCC2C(=C1)OC1=C(CCC=C1)C21C2=C(C=C(c3ccccc3)CC2)Oc2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C49H37NO2/c1-3-13-32(14-4-1)35-24-27-41-48(31-35)52-47-28-25-33(29-42(47)49(41)39-18-8-11-21-45(39)51-46-22-12-9-19-40(46)49)34-23-26-38-37-17-7-10-20-43(37)50(44(38)30-34)36-15-5-2-6-16-36/h1-8,10-17,20-23,25-26,28-31,39H,9,18-19,24,27H2
InChIKeyBUAMJNHPOLGNGT-UHFFFAOYSA-N
XLogP12.31
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.84
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole
CID 118860674
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole
CID 70935948
3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 167200302
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
9-phenyl-2-(8-phenyl-9,9'-spirobi[1,2-dihydrothioxanthene]-3'-yl)carbazole
CID 134527572
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole
CID 145264899
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole?
The IUPAC name of 9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole (CID 118861144) is 9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole.
What is the SMILES notation for 9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole?
The canonical SMILES for 9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole is C1=CCC2C(=C1)OC1=C(CCC=C1)C21C2=C(C=C(c3ccccc3)CC2)Oc2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.
What is the InChIKey of 9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole?
The InChIKey is BUAMJNHPOLGNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37NO2/c1-3-13-32(14-4-1)35-24-27-41-48(31-35)52-47-28-25-33(29-42(47)49(41)39-18-8-11-21-45(39)51-46-22-12-9-19-40(46)49)34-23-26-38-37-17-7-10-20-43(37)50(44(38)30-34)36-15-5-2-6-16-36/h1-8,10-17,20-23,25-26,28-31,39H,9,18-19,24,27H2.
What are the key properties of 9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole?
9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole has a molecular weight of 671.84 g/mol, XLogP of 12.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole is sourced from PubChem (CID 118861144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).