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

C37H23N — CID 90253684

IUPAC3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
SMILESc1ccc(-c2ccc3[nH]c4c5c(ccc4c3c2)C2(c3ccccc3-c3ccccc32)c2ccccc2-5)cc1
InChIInChI=1S/C37H23N/c1-2-10-23(11-3-1)24-18-21-34-29(22-24)27-19-20-33-35(36(27)38-34)28-14-6-9-17-32(28)37(33)30-15-7-4-12-25(30)26-13-5-8-16-31(26)37/h1-22,38H
InChIKeyZDEVNFNOBYYEBK-UHFFFAOYSA-N
MW481.60 g/mol
LogP9.33
Rot. Bonds1

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

3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] (PubChem CID 90253684) has the molecular formula C37H23N and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene].

Molecular Properties

Compound Name3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
PubChem CID90253684
Molecular FormulaC37H23N
Molecular Weight481.60 g/mol
Exact Mass481.18
IUPAC Name3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
SMILESc1ccc(-c2ccc3[nH]c4c5c(ccc4c3c2)C2(c3ccccc3-c3ccccc32)c2ccccc2-5)cc1
InChIInChI=1S/C37H23N/c1-2-10-23(11-3-1)24-18-21-34-29(22-24)27-19-20-33-35(36(27)38-34)28-14-6-9-17-32(28)37(33)30-15-7-4-12-25(30)26-13-5-8-16-31(26)37/h1-22,38H
InChIKeyZDEVNFNOBYYEBK-UHFFFAOYSA-N
XLogP9.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 59.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(7R)-2'-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 144648667
3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 123191877
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
3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole
CID 147990187
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 59306973
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
2-[9,10-bis(2,3,4,5,6-pentakis-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-9,9'-spirobi[fluorene]
CID 167352769
1,3,6-triphenyl-9H-carbazole
CID 118052457
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
4'-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]-9,9'-spirobi[fluorene]
CID 156677063

Frequently Asked Questions

What is the IUPAC name of 3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]?
The IUPAC name of 3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] (CID 90253684) is 3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene].
What is the SMILES notation for 3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]?
The canonical SMILES for 3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] is c1ccc(-c2ccc3[nH]c4c5c(ccc4c3c2)C2(c3ccccc3-c3ccccc32)c2ccccc2-5)cc1.
What is the InChIKey of 3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]?
The InChIKey is ZDEVNFNOBYYEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N/c1-2-10-23(11-3-1)24-18-21-34-29(22-24)27-19-20-33-35(36(27)38-34)28-14-6-9-17-32(28)37(33)30-15-7-4-12-25(30)26-13-5-8-16-31(26)37/h1-22,38H.
What are the key properties of 3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]?
3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] has a molecular weight of 481.60 g/mol, XLogP of 9.33, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] is sourced from PubChem (CID 90253684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).