9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole

C49H31NO2 — CID 118698170

IUPAC9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1
InChIInChI=1S/C49H31NO2/c1-3-15-32(16-4-1)33-29-30-40-46(31-33)51-44-27-11-8-22-38(44)49(40)39-23-9-12-28-45(39)52-48-36(21-13-24-41(48)49)35-20-14-26-43-47(35)37-19-7-10-25-42(37)50(43)34-17-5-2-6-18-34/h1-31H
InChIKeyCXWCJXCRMWDTBH-UHFFFAOYSA-N
MW665.79 g/mol
LogP12.71
Rot. Bonds3

About 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole

9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole (PubChem CID 118698170) has the molecular formula C49H31NO2 and a molecular weight of 665.79 g/mol. Its IUPAC name is 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole
PubChem CID118698170
Molecular FormulaC49H31NO2
Molecular Weight665.79 g/mol
Exact Mass665.24
IUPAC Name9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1
InChIInChI=1S/C49H31NO2/c1-3-15-32(16-4-1)33-29-30-40-46(31-33)51-44-27-11-8-22-38(44)49(40)39-23-9-12-28-45(39)52-48-36(21-13-24-41(48)49)35-20-14-26-43-47(35)37-19-7-10-25-42(37)50(43)34-17-5-2-6-18-34/h1-31H
InChIKeyCXWCJXCRMWDTBH-UHFFFAOYSA-N
XLogP12.71
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.79
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
CID 118698161
9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
CID 118698167
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-4-(2-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(3-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(4-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(8'-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
CID 159259452
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
3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-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 142509888
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
2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
CID 161440749
3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole
CID 118860801
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole
CID 118700580
9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-4-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-1-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-4-yl)carbazole
CID 158909916

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole?
The IUPAC name of 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole (CID 118698170) is 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole.
What is the SMILES notation for 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole?
The canonical SMILES for 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole is c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1.
What is the InChIKey of 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole?
The InChIKey is CXWCJXCRMWDTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO2/c1-3-15-32(16-4-1)33-29-30-40-46(31-33)51-44-27-11-8-22-38(44)49(40)39-23-9-12-28-45(39)52-48-36(21-13-24-41(48)49)35-20-14-26-43-47(35)37-19-7-10-25-42(37)50(43)34-17-5-2-6-18-34/h1-31H.
What are the key properties of 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole?
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole has a molecular weight of 665.79 g/mol, XLogP of 12.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole is sourced from PubChem (CID 118698170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).