2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane

C116H80AlN11O3 — CID 158227753

IUPAC2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane
SMILESc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C45H30N6.C44H32N2.3C9H7NO.Al/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-30H;1-32H;3*1-6,11H;/q;;;;;+3/p-3
InChIKeyGDZXCHIKNXOBEM-UHFFFAOYSA-K
MW1702.97 g/mol
LogP29.16
Rot. Bonds19

About 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane

2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane (PubChem CID 158227753) has the molecular formula C116H80AlN11O3 and a molecular weight of 1702.97 g/mol. Its IUPAC name is 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane.

Molecular Properties

Compound Name2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane
PubChem CID158227753
Molecular FormulaC116H80AlN11O3
Molecular Weight1702.97 g/mol
Exact Mass1701.63
IUPAC Name2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane
SMILESc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C45H30N6.C44H32N2.3C9H7NO.Al/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-30H;1-32H;3*1-6,11H;/q;;;;;+3/p-3
InChIKeyGDZXCHIKNXOBEM-UHFFFAOYSA-K
XLogP29.16
TPSA126.30 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.97
LogP ≤ 529.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane with MolForge

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Related Compounds

CID 157251634
CID 157251634
9-methyl-2-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-f]phenanthridin-5-ide;platinum;tri(quinolin-8-yloxy)alumane
CID 157896215
4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane
CID 158788116
CID 159204676
CID 159204676
(1R,28R)-2,29,57-trioxa-12,27,39,54-tetraza-9,55-diazonia-1,28-diboranuidahexadecacyclo[28.24.2.27,10.11,28.03,8.09,28.011,27.013,26.014,19.020,25.034,56.037,55.038,54.040,53.041,46.047,52]nonapentaconta-3,5,7,9,11,13(26),14,16,18,20,22,24,30,32,34(56),35,37(55),38,40(53),41,43,45,47,49,51,58-hexacosaene
CID 139041013
Tris(2-(1-methylbenzimidazol-2-yl)quinolin-8-olate);praseodymium(3+);propan-2-ol;dihydrate
CID 139128385
Bis(acetonitrile);tris(2-(1-butyl-6-methylbenzimidazol-2-yl)quinolin-8-olate);lanthanum(3+)
CID 139128387
[6-[9-(6-Carbazol-9-yl-9-ethylcarbazol-3-yl)carbazol-3-yl]quinolin-8-yl]oxy-di(quinolin-8-yloxy)alumane
CID 57591926
Tris[[6-[9-(6-carbazol-9-yl-9-ethylcarbazol-3-yl)carbazol-3-yl]quinolin-8-yl]oxy]alumane
CID 57591930
5-[3-(1-Phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol
CID 71036736
5-[3-[4-(1-Phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 89211571
7-[3-[4-(1-Phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 89211574

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane?
The IUPAC name of 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane (CID 158227753) is 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane.
What is the SMILES notation for 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane?
The canonical SMILES for 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane is c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane?
The InChIKey is GDZXCHIKNXOBEM-UHFFFAOYSA-K. The full InChI is InChI=1S/C45H30N6.C44H32N2.3C9H7NO.Al/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-30H;1-32H;3*1-6,11H;/q;;;;;+3/p-3.
What are the key properties of 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane?
2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane has a molecular weight of 1702.97 g/mol, XLogP of 29.16, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 158227753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).