12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

C46H28N2 — CID 129264506

IUPAC12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1cc(-c2cccc3cccnc23)cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C42c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C46H28N2/c1-5-21-38-33(16-1)34-17-2-6-22-39(34)46(38)40-23-7-3-19-37(40)43-41(46)26-25-36-35-18-4-8-24-42(35)48(45(36)43)31-15-9-13-30(28-31)32-20-10-12-29-14-11-27-47-44(29)32/h1-28H
InChIKeyIGXWGBWZGDPMJZ-UHFFFAOYSA-N
MW608.74 g/mol
LogP11.34
Rot. Bonds2

About 12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (PubChem CID 129264506) has the molecular formula C46H28N2 and a molecular weight of 608.74 g/mol. Its IUPAC name is 12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

Molecular Properties

Compound Name12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
PubChem CID129264506
Molecular FormulaC46H28N2
Molecular Weight608.74 g/mol
Exact Mass608.23
IUPAC Name12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1cc(-c2cccc3cccnc23)cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C42c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C46H28N2/c1-5-21-38-33(16-1)34-17-2-6-22-39(34)46(38)40-23-7-3-19-37(40)43-41(46)26-25-36-35-18-4-8-24-42(35)48(45(36)43)31-15-9-13-30(28-31)32-20-10-12-29-14-11-27-47-44(29)32/h1-28H
InChIKeyIGXWGBWZGDPMJZ-UHFFFAOYSA-N
XLogP11.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.74
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
12'-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014741
3'-quinolin-8-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 146494736
9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole
CID 71127134
12'-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 130327316
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
7,7-dimethyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]indeno[1,2-a]carbazole
CID 90324605
9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole
CID 130355607
12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253707
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280
12-[3-[6-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]phenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 176780548
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960

Frequently Asked Questions

What is the IUPAC name of 12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The IUPAC name of 12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (CID 129264506) is 12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole].
What is the SMILES notation for 12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The canonical SMILES for 12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is c1cc(-c2cccc3cccnc23)cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C42c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The InChIKey is IGXWGBWZGDPMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2/c1-5-21-38-33(16-1)34-17-2-6-22-39(34)46(38)40-23-7-3-19-37(40)43-41(46)26-25-36-35-18-4-8-24-42(35)48(45(36)43)31-15-9-13-30(28-31)32-20-10-12-29-14-11-27-47-44(29)32/h1-28H.
What are the key properties of 12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] has a molecular weight of 608.74 g/mol, XLogP of 11.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 129264506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).