(2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane

C43H30AlN3O3 — CID 59133464

IUPAC(2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)Oc3cccc4cccnc34)c2n1
InChIInChI=1S/C24H17NO.C10H9NO.C9H7NO.Al/c26-20-14-15-24-22(16-20)21-8-4-5-9-23(21)25(24)19-12-10-18(11-13-19)17-6-2-1-3-7-17;1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-16,26H;2-6,12H,1H3;1-6,11H;/q;;;+3/p-3
InChIKeyQHHKGKUEDHDUCA-UHFFFAOYSA-K
MW663.71 g/mol
LogP10.38
Rot. Bonds8

About (2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane

(2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane (PubChem CID 59133464) has the molecular formula C43H30AlN3O3 and a molecular weight of 663.71 g/mol. Its IUPAC name is (2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane.

Molecular Properties

Compound Name(2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane
PubChem CID59133464
Molecular FormulaC43H30AlN3O3
Molecular Weight663.71 g/mol
Exact Mass663.21
IUPAC Name(2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane
SMILESCc1ccc2cccc(O[Al](Oc3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)Oc3cccc4cccnc34)c2n1
InChIInChI=1S/C24H17NO.C10H9NO.C9H7NO.Al/c26-20-14-15-24-22(16-20)21-8-4-5-9-23(21)25(24)19-12-10-18(11-13-19)17-6-2-1-3-7-17;1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-16,26H;2-6,12H,1H3;1-6,11H;/q;;;+3/p-3
InChIKeyQHHKGKUEDHDUCA-UHFFFAOYSA-K
XLogP10.38
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.71
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 160644085
CID 160644085
9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane
CID 160962485
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
CID 161045259
CID 161045259
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
(2-methyl-3,4-dihydroquinolin-8-yl)oxy-(2-methylquinolin-8-yl)oxy-(4-phenylphenoxy)alumane
CID 58004223
CID 158178620
CID 158178620
8-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-2-methyl-5-phenylpyrido[3,2-b]indole
CID 90162833
CID 158128111
CID 158128111
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
8-methyl-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 144976361
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane?
The IUPAC name of (2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane (CID 59133464) is (2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane.
What is the SMILES notation for (2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane?
The canonical SMILES for (2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane is Cc1ccc2cccc(O[Al](Oc3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)Oc3cccc4cccnc34)c2n1.
What is the InChIKey of (2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane?
The InChIKey is QHHKGKUEDHDUCA-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H17NO.C10H9NO.C9H7NO.Al/c26-20-14-15-24-22(16-20)21-8-4-5-9-23(21)25(24)19-12-10-18(11-13-19)17-6-2-1-3-7-17;1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-16,26H;2-6,12H,1H3;1-6,11H;/q;;;+3/p-3.
What are the key properties of (2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane?
(2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane has a molecular weight of 663.71 g/mol, XLogP of 10.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane is sourced from PubChem (CID 59133464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).