12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]

C61H38N2O — CID 129133149

IUPAC12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c(c2n3-c2ccc(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)cc2)-c2ccccc2C42c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C61H38N2O/c1-2-14-39(15-3-1)42-30-37-56-49(38-42)47-35-36-53-59(48-18-4-7-19-50(48)61(53)51-20-8-12-24-57(51)64-58-25-13-9-21-52(58)61)60(47)63(56)44-33-28-41(29-34-44)40-26-31-43(32-27-40)62-54-22-10-5-16-45(54)46-17-6-11-23-55(46)62/h1-38H
InChIKeyVFFCKFNBVAWFLY-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.68
Rot. Bonds4

About 12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]

12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] (PubChem CID 129133149) has the molecular formula C61H38N2O and a molecular weight of 814.99 g/mol. Its IUPAC name is 12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
PubChem CID129133149
Molecular FormulaC61H38N2O
Molecular Weight814.99 g/mol
Exact Mass814.30
IUPAC Name12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c(c2n3-c2ccc(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)cc2)-c2ccccc2C42c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C61H38N2O/c1-2-14-39(15-3-1)42-30-37-56-49(38-42)47-35-36-53-59(48-18-4-7-19-50(48)61(53)51-20-8-12-24-57(51)64-58-25-13-9-21-52(58)61)60(47)63(56)44-33-28-41(29-34-44)40-26-31-43(32-27-40)62-54-22-10-5-16-45(54)46-17-6-11-23-55(46)62/h1-38H
InChIKeyVFFCKFNBVAWFLY-UHFFFAOYSA-N
XLogP15.68
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The IUPAC name of 12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] (CID 129133149) is 12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene].
What is the SMILES notation for 12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The canonical SMILES for 12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] is c1ccc(-c2ccc3c(c2)c2ccc4c(c2n3-c2ccc(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)cc2)-c2ccccc2C42c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The InChIKey is VFFCKFNBVAWFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2O/c1-2-14-39(15-3-1)42-30-37-56-49(38-42)47-35-36-53-59(48-18-4-7-19-50(48)61(53)51-20-8-12-24-57(51)64-58-25-13-9-21-52(58)61)60(47)63(56)44-33-28-41(29-34-44)40-26-31-43(32-27-40)62-54-22-10-5-16-45(54)46-17-6-11-23-55(46)62/h1-38H.
What are the key properties of 12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] has a molecular weight of 814.99 g/mol, XLogP of 15.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] is sourced from PubChem (CID 129133149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).