2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]

C49H31NO — CID 129133135

IUPAC2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C49H31NO/c1-4-14-32(15-5-1)34-24-28-44-40(30-34)39-27-26-38-37-20-10-11-21-41(37)49(47(38)48(39)50(44)36-18-8-3-9-19-36)42-22-12-13-23-45(42)51-46-29-25-35(31-43(46)49)33-16-6-2-7-17-33/h1-31H
InChIKeyODRQPUCKOBBBLQ-UHFFFAOYSA-N
MW649.79 g/mol
LogP12.59
Rot. Bonds3

About 2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]

2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene] (PubChem CID 129133135) has the molecular formula C49H31NO and a molecular weight of 649.79 g/mol. Its IUPAC name is 2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene].

Molecular Properties

Compound Name2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]
PubChem CID129133135
Molecular FormulaC49H31NO
Molecular Weight649.79 g/mol
Exact Mass649.24
IUPAC Name2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C49H31NO/c1-4-14-32(15-5-1)34-24-28-44-40(30-34)39-27-26-38-37-20-10-11-21-41(37)49(47(38)48(39)50(44)36-18-8-3-9-19-36)42-22-12-13-23-45(42)51-46-29-25-35(31-43(46)49)33-16-6-2-7-17-33/h1-31H
InChIKeyODRQPUCKOBBBLQ-UHFFFAOYSA-N
XLogP12.59
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.79
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8',11'-bis(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331815
11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170037885
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118332070
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole
CID 170037998
8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038799
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
7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
CID 170042086
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607

Frequently Asked Questions

What is the IUPAC name of 2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]?
The IUPAC name of 2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene] (CID 129133135) is 2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene].
What is the SMILES notation for 2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]?
The canonical SMILES for 2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene] is c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]?
The InChIKey is ODRQPUCKOBBBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO/c1-4-14-32(15-5-1)34-24-28-44-40(30-34)39-27-26-38-37-20-10-11-21-41(37)49(47(38)48(39)50(44)36-18-8-3-9-19-36)42-22-12-13-23-45(42)51-46-29-25-35(31-43(46)49)33-16-6-2-7-17-33/h1-31H.
What are the key properties of 2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]?
2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene] has a molecular weight of 649.79 g/mol, XLogP of 12.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene] is sourced from PubChem (CID 129133135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).