3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]

C62H36N2 — CID 123191877

IUPAC3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c2[nH]c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4[nH]c4ccccc43)cc21
InChIInChI=1S/C62H36N2/c1-7-21-46-37(14-1)38-15-2-8-22-47(38)61(46)49-24-10-4-18-43(49)57-52(61)32-30-41-45-34-35(28-33-55(45)64-60(41)57)36-20-13-26-51-56(36)42-17-3-9-23-48(42)62(51)50-25-11-5-19-44(50)58-53(62)31-29-40-39-16-6-12-27-54(39)63-59(40)58/h1-34,63-64H
InChIKeyMXEDHRZGWORIPS-UHFFFAOYSA-N
MW808.98 g/mol
LogP15.31
Rot. Bonds1

About 3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]

3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] (PubChem CID 123191877) has the molecular formula C62H36N2 and a molecular weight of 808.98 g/mol. Its IUPAC name is 3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene].

Molecular Properties

Compound Name3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
PubChem CID123191877
Molecular FormulaC62H36N2
Molecular Weight808.98 g/mol
Exact Mass808.29
IUPAC Name3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c2[nH]c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4[nH]c4ccccc43)cc21
InChIInChI=1S/C62H36N2/c1-7-21-46-37(14-1)38-15-2-8-22-47(38)61(46)49-24-10-4-18-43(49)57-52(61)32-30-41-45-34-35(28-33-55(45)64-60(41)57)36-20-13-26-51-56(36)42-17-3-9-23-48(42)62(51)50-25-11-5-19-44(50)58-53(62)31-29-40-39-16-6-12-27-54(39)63-59(40)58/h1-34,63-64H
InChIKeyMXEDHRZGWORIPS-UHFFFAOYSA-N
XLogP15.31
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.98
LogP ≤ 515.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] with MolForge

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Related Compounds

3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 90253684
(7R)-2'-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 144648667
9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 122627210
17,17,18,18,19,19-hexamethylspiro[23-azahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14,16(20),21-nonaene-9,9'-fluorene]
CID 126598612
spiro[11H-indeno[2,1-a]carbazole-12,9'-fluorene]
CID 118343947
1-[3-(9-phenylfluoren-9-yl)phenyl]-9H-carbazole
CID 154322481
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole
CID 147990187
spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]
CID 67472219
spiro[5H-indeno[2,1-b]carbazole-7,9'-fluorene]
CID 66804950
4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 165158281

Frequently Asked Questions

What is the IUPAC name of 3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]?
The IUPAC name of 3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] (CID 123191877) is 3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene].
What is the SMILES notation for 3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]?
The canonical SMILES for 3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c2[nH]c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4[nH]c4ccccc43)cc21.
What is the InChIKey of 3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]?
The InChIKey is MXEDHRZGWORIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N2/c1-7-21-46-37(14-1)38-15-2-8-22-47(38)61(46)49-24-10-4-18-43(49)57-52(61)32-30-41-45-34-35(28-33-55(45)64-60(41)57)36-20-13-26-51-56(36)42-17-3-9-23-48(42)62(51)50-25-11-5-19-44(50)58-53(62)31-29-40-39-16-6-12-27-54(39)63-59(40)58/h1-34,63-64H.
What are the key properties of 3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]?
3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] has a molecular weight of 808.98 g/mol, XLogP of 15.31, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] is sourced from PubChem (CID 123191877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).