12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]

C49H29NO — CID 118614900

IUPAC12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c21
InChIInChI=1S/C49H29NO/c1-2-15-33-31(13-1)32-14-3-4-16-34(32)39-29-30(25-26-35(33)39)50-44-22-10-6-17-36(44)37-27-28-43-47(48(37)50)38-18-5-7-19-40(38)49(43)41-20-8-11-23-45(41)51-46-24-12-9-21-42(46)49/h1-29H
InChIKeyKFVMSTKBOVLHLW-UHFFFAOYSA-N
MW647.78 g/mol
LogP12.71
Rot. Bonds1

About 12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]

12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] (PubChem CID 118614900) has the molecular formula C49H29NO and a molecular weight of 647.78 g/mol. Its IUPAC name is 12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
PubChem CID118614900
Molecular FormulaC49H29NO
Molecular Weight647.78 g/mol
Exact Mass647.22
IUPAC Name12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c21
InChIInChI=1S/C49H29NO/c1-2-15-33-31(13-1)32-14-3-4-16-34(32)39-29-30(25-26-35(33)39)50-44-22-10-6-17-36(44)37-27-28-43-47(48(37)50)38-18-5-7-19-40(38)49(43)41-20-8-11-23-45(41)51-46-24-12-9-21-42(46)49/h1-29H
InChIKeyKFVMSTKBOVLHLW-UHFFFAOYSA-N
XLogP12.71
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.78
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 118614743
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
12'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253710
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170038206
12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 156559750
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 163986204
CID 134551739
CID 134551739
9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine
CID 169305047
11,11-dimethyl-15-phenylspiro[15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5,7,9,13,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 118614896
12'-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169060662

Frequently Asked Questions

What is the IUPAC name of 12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The IUPAC name of 12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] (CID 118614900) is 12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene].
What is the SMILES notation for 12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The canonical SMILES for 12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c21.
What is the InChIKey of 12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The InChIKey is KFVMSTKBOVLHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO/c1-2-15-33-31(13-1)32-14-3-4-16-34(32)39-29-30(25-26-35(33)39)50-44-22-10-6-17-36(44)37-27-28-43-47(48(37)50)38-18-5-7-19-40(38)49(43)41-20-8-11-23-45(41)51-46-24-12-9-21-42(46)49/h1-29H.
What are the key properties of 12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] has a molecular weight of 647.78 g/mol, XLogP of 12.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] is sourced from PubChem (CID 118614900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).