9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole

C61H38N2O — CID 167178048

IUPAC9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6O5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C61H38N2O/c1-3-15-43(16-4-1)62-55-25-13-9-21-47(55)49-35-39(27-31-57(49)62)41-29-33-59-53(37-41)61(51-23-11-7-19-45(51)46-20-8-12-24-52(46)61)54-38-42(30-34-60(54)64-59)40-28-32-58-50(36-40)48-22-10-14-26-56(48)63(58)44-17-5-2-6-18-44/h1-38H
InChIKeyUXZKRELOKCMKIX-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.68
Rot. Bonds4

About 9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole

9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole (PubChem CID 167178048) has the molecular formula C61H38N2O and a molecular weight of 814.99 g/mol. Its IUPAC name is 9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
PubChem CID167178048
Molecular FormulaC61H38N2O
Molecular Weight814.99 g/mol
Exact Mass814.30
IUPAC Name9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6O5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C61H38N2O/c1-3-15-43(16-4-1)62-55-25-13-9-21-47(55)49-35-39(27-31-57(49)62)41-29-33-59-53(37-41)61(51-23-11-7-19-45(51)46-20-8-12-24-52(46)61)54-38-42(30-34-60(54)64-59)40-28-32-58-50(36-40)48-22-10-14-26-56(48)63(58)44-17-5-2-6-18-44/h1-38H
InChIKeyUXZKRELOKCMKIX-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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Related Compounds

9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
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
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
CID 170038082
11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170037885
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole
CID 70935948
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole?
The IUPAC name of 9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole (CID 167178048) is 9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6O5)c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole?
The InChIKey is UXZKRELOKCMKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2O/c1-3-15-43(16-4-1)62-55-25-13-9-21-47(55)49-35-39(27-31-57(49)62)41-29-33-59-53(37-41)61(51-23-11-7-19-45(51)46-20-8-12-24-52(46)61)54-38-42(30-34-60(54)64-59)40-28-32-58-50(36-40)48-22-10-14-26-56(48)63(58)44-17-5-2-6-18-44/h1-38H.
What are the key properties of 9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole?
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole 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 9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole is sourced from PubChem (CID 167178048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).