9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole

C48H30N2O2 — CID 118698383

IUPAC9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)C4(c6ccccc6Oc6cc(-c7ccccn7)ccc64)c4ccccc4O5)cccc32)cc1
InChIInChI=1S/C48H30N2O2/c1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)47-34(16-12-21-42(47)50)31-25-27-45-39(29-31)48(36-17-5-8-22-43(36)51-45)37-18-6-9-23-44(37)52-46-30-32(24-26-38(46)48)40-19-10-11-28-49-40/h1-30H
InChIKeyYIJGSUILTHOJTD-UHFFFAOYSA-N
MW666.78 g/mol
LogP12.11
Rot. Bonds3

About 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole

9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole (PubChem CID 118698383) has the molecular formula C48H30N2O2 and a molecular weight of 666.78 g/mol. Its IUPAC name is 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole
PubChem CID118698383
Molecular FormulaC48H30N2O2
Molecular Weight666.78 g/mol
Exact Mass666.23
IUPAC Name9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)C4(c6ccccc6Oc6cc(-c7ccccn7)ccc64)c4ccccc4O5)cccc32)cc1
InChIInChI=1S/C48H30N2O2/c1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)47-34(16-12-21-42(47)50)31-25-27-45-39(29-31)48(36-17-5-8-22-43(36)51-45)37-18-6-9-23-44(37)52-46-30-32(24-26-38(46)48)40-19-10-11-28-49-40/h1-30H
InChIKeyYIJGSUILTHOJTD-UHFFFAOYSA-N
XLogP12.11
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-Methoxy-5,6,11-trimethylpyrido[4,3-b]carbazole
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CID 10096191
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 10322402
8-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
CID 51360695
Quinoline, 4-[3-[(1-methyl-1H-indol-7-yl)methoxy]phenyl]-3-(phenylmethyl)-8-(trifluoromethyl)-
CID 45270660
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CID 10994730
4-[(S)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-phenanthren-9-yloxymethyl]-6-methoxyquinoline
CID 127041890
6-Methoxy-5-[(6-methoxy-5-quinolyl)methyl]quinoline;sulfuric acid
CID 3721640
5,9-Dimethyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]phenanthridin-5-ium chloride
CID 164616863
5,10-Dimethyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]phenanthridin-5-ium chloride
CID 164627067
3-[(6aR,12aR,12bS)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthen-10-yl]quinoline
CID 168279033
1H-Indole, 3-((4-methoxy-1-naphthalenyl)methyl)-1-pentyl-
CID 129858236

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole?
The IUPAC name of 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole (CID 118698383) is 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole.
What is the SMILES notation for 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole?
The canonical SMILES for 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)C4(c6ccccc6Oc6cc(-c7ccccn7)ccc64)c4ccccc4O5)cccc32)cc1.
What is the InChIKey of 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole?
The InChIKey is YIJGSUILTHOJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O2/c1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)47-34(16-12-21-42(47)50)31-25-27-45-39(29-31)48(36-17-5-8-22-43(36)51-45)37-18-6-9-23-44(37)52-46-30-32(24-26-38(46)48)40-19-10-11-28-49-40/h1-30H.
What are the key properties of 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole?
9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole has a molecular weight of 666.78 g/mol, XLogP of 12.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole is sourced from PubChem (CID 118698383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).