10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]

C46H36N2S — CID 163667947

IUPAC10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]
SMILESc1ccc2c(c1)N(c1ccc3c(c1)c1ccccc1n3-c1ccc3sc4ccccc4c3c1)c1ccccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H36N2S/c1-5-13-40-34(9-1)36-26-32(17-19-41(36)47(40)33-18-20-45-37(27-33)35-10-2-8-16-44(35)49-45)48-42-14-6-3-11-38(42)46(39-12-4-7-15-43(39)48)30-22-28-21-29(24-30)25-31(46)23-28/h1-20,26-31H,21-25H2
InChIKeyCRAHJAVGMQDILS-UHFFFAOYSA-N
MW648.88 g/mol
LogP12.68
Rot. Bonds2

About 10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]

10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane] (PubChem CID 163667947) has the molecular formula C46H36N2S and a molecular weight of 648.88 g/mol. Its IUPAC name is 10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane].

Molecular Properties

Compound Name10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]
PubChem CID163667947
Molecular FormulaC46H36N2S
Molecular Weight648.88 g/mol
Exact Mass648.26
IUPAC Name10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]
SMILESc1ccc2c(c1)N(c1ccc3c(c1)c1ccccc1n3-c1ccc3sc4ccccc4c3c1)c1ccccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H36N2S/c1-5-13-40-34(9-1)36-26-32(17-19-41(36)47(40)33-18-20-45-37(27-33)35-10-2-8-16-44(35)49-45)48-42-14-6-3-11-38(42)46(39-12-4-7-15-43(39)48)30-22-28-21-29(24-30)25-31(46)23-28/h1-20,26-31H,21-25H2
InChIKeyCRAHJAVGMQDILS-UHFFFAOYSA-N
XLogP12.68
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.88
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]
CID 163809128
triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane
CID 163761357
2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809995
2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole
CID 164810223
N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 155399719
10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane]
CID 163736332
5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]
CID 167004612
4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 165008355
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
CID 144619443
CID 144619443
10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine
CID 164756657
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057

Frequently Asked Questions

What is the IUPAC name of 10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]?
The IUPAC name of 10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane] (CID 163667947) is 10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane].
What is the SMILES notation for 10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]?
The canonical SMILES for 10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane] is c1ccc2c(c1)N(c1ccc3c(c1)c1ccccc1n3-c1ccc3sc4ccccc4c3c1)c1ccccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]?
The InChIKey is CRAHJAVGMQDILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2S/c1-5-13-40-34(9-1)36-26-32(17-19-41(36)47(40)33-18-20-45-37(27-33)35-10-2-8-16-44(35)49-45)48-42-14-6-3-11-38(42)46(39-12-4-7-15-43(39)48)30-22-28-21-29(24-30)25-31(46)23-28/h1-20,26-31H,21-25H2.
What are the key properties of 10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]?
10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane] has a molecular weight of 648.88 g/mol, XLogP of 12.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane] is sourced from PubChem (CID 163667947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).