9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane

C99H66AlN7O3 — CID 160962485

IUPAC9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C42H28N2.C30H20N2.3C9H7NO.Al/c1-5-22-39-35(18-1)36-19-2-6-23-40(36)43(39)33-16-10-14-31(27-33)29-12-9-13-30(26-29)32-15-11-17-34(28-32)44-41-24-7-3-20-37(41)38-21-4-8-25-42(38)44;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-28H;1-20H;3*1-6,11H;/q;;;;;+3/p-3
InChIKeySXELPBIGUPCISI-UHFFFAOYSA-K
MW1428.64 g/mol
LogP24.95
Rot. Bonds12

About 9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane

9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane (PubChem CID 160962485) has the molecular formula C99H66AlN7O3 and a molecular weight of 1428.64 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane.

Molecular Properties

Compound Name9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane
PubChem CID160962485
Molecular FormulaC99H66AlN7O3
Molecular Weight1428.64 g/mol
Exact Mass1427.50
IUPAC Name9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C42H28N2.C30H20N2.3C9H7NO.Al/c1-5-22-39-35(18-1)36-19-2-6-23-40(36)43(39)33-16-10-14-31(27-33)29-12-9-13-30(26-29)32-15-11-17-34(28-32)44-41-24-7-3-20-37(41)38-21-4-8-25-42(38)44;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-28H;1-20H;3*1-6,11H;/q;;;;;+3/p-3
InChIKeySXELPBIGUPCISI-UHFFFAOYSA-K
XLogP24.95
TPSA86.08 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001428.64
LogP ≤ 524.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

CID 160644085
CID 160644085
(2-methylquinolin-8-yl)oxy-[9-(4-phenylphenyl)carbazol-3-yl]oxy-quinolin-8-yloxyalumane
CID 59133464
CID 158128111
CID 158128111
10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
CID 118003234
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
CID 88858520
7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline
CID 134559444
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 146973645
8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122688012
8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265549
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
9-[3-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]phenyl]carbazole
CID 122627429

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane?
The IUPAC name of 9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane (CID 160962485) is 9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane.
What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane?
The canonical SMILES for 9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane is c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane?
The InChIKey is SXELPBIGUPCISI-UHFFFAOYSA-K. The full InChI is InChI=1S/C42H28N2.C30H20N2.3C9H7NO.Al/c1-5-22-39-35(18-1)36-19-2-6-23-40(36)43(39)33-16-10-14-31(27-33)29-12-9-13-30(26-29)32-15-11-17-34(28-32)44-41-24-7-3-20-37(41)38-21-4-8-25-42(38)44;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-28H;1-20H;3*1-6,11H;/q;;;;;+3/p-3.
What are the key properties of 9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane?
9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane has a molecular weight of 1428.64 g/mol, XLogP of 24.95, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 160962485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).