9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane

C127H89AlN8O3 — CID 157397360

IUPAC9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C60H44N2.C40H27N3.3C9H7NO.Al/c1-5-13-45(14-6-1)48-21-23-49(24-22-48)52-29-39-56(40-30-52)61(55-19-11-4-12-20-55)57-41-31-53(32-42-57)54-33-43-60(44-34-54)62(58-35-25-50(26-36-58)46-15-7-2-8-16-46)59-37-27-51(28-38-59)47-17-9-3-10-18-47;1-3-12-29(13-4-1)36-27-37(42-40(41-36)30-14-5-2-6-15-30)32-17-11-16-31(26-32)28-22-24-33(25-23-28)43-38-20-9-7-18-34(38)35-19-8-10-21-39(35)43;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-44H;1-27H;3*1-6,11H;/q;;;;;+3/p-3
InChIKeyBMSQCMBRMNDPQH-UHFFFAOYSA-K
MW1802.14 g/mol
LogP33.06
Rot. Bonds22

About 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane

9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane (PubChem CID 157397360) has the molecular formula C127H89AlN8O3 and a molecular weight of 1802.14 g/mol. Its IUPAC name is 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane.

Molecular Properties

Compound Name9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane
PubChem CID157397360
Molecular FormulaC127H89AlN8O3
Molecular Weight1802.14 g/mol
Exact Mass1800.69
IUPAC Name9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C60H44N2.C40H27N3.3C9H7NO.Al/c1-5-13-45(14-6-1)48-21-23-49(24-22-48)52-29-39-56(40-30-52)61(55-19-11-4-12-20-55)57-41-31-53(32-42-57)54-33-43-60(44-34-54)62(58-35-25-50(26-36-58)46-15-7-2-8-16-46)59-37-27-51(28-38-59)47-17-9-3-10-18-47;1-3-12-29(13-4-1)36-27-37(42-40(41-36)30-14-5-2-6-15-30)32-17-11-16-31(26-32)28-22-24-33(25-23-28)43-38-20-9-7-18-34(38)35-19-8-10-21-39(35)43;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-44H;1-27H;3*1-6,11H;/q;;;;;+3/p-3
InChIKeyBMSQCMBRMNDPQH-UHFFFAOYSA-K
XLogP33.06
TPSA103.55 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001802.14
LogP ≤ 533.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane with MolForge

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Related Compounds

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
[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-[4-[5-(3,5-Diphenylphenyl)indolo[3,2-c]carbazol-12-yl]-6-phenyl-1,3,5-triazin-2-yl]pyrido[3,4-b][1,4]benzoxazine
CID 117862695
5-[3-[1-[4-(8-Oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]pyrrolo[3,2-c]carbazol-6-yl]phenyl]-15-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 129297298
7-[4-[3,5-Bis[4-(6-hydroxy-5-pyrimidin-5-ylindolo[2,3-b]carbazol-7-yl)phenyl]phenyl]phenyl]-5-pyrimidin-5-ylindolo[2,3-b]carbazol-6-ol
CID 132149251
10-[4-(2,5-Dimethyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]-3-methyl-7-(9-phenylcarbazol-2-yl)phenoxazine
CID 134577994
Dilithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-pyrimidin-5-ylanthracen-9-yl]quinolin-1-ium-8-olate
CID 140600468
Dilithium;7-[7-(8-oxidoquinolin-1-ium-7-yl)-4-pyrimidin-5-ylbenzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
CID 140600470
Dilithium;7-[2-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600475

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane?
The IUPAC name of 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane (CID 157397360) is 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane.
What is the SMILES notation for 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane?
The canonical SMILES for 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane is c1ccc(-c2cc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane?
The InChIKey is BMSQCMBRMNDPQH-UHFFFAOYSA-K. The full InChI is InChI=1S/C60H44N2.C40H27N3.3C9H7NO.Al/c1-5-13-45(14-6-1)48-21-23-49(24-22-48)52-29-39-56(40-30-52)61(55-19-11-4-12-20-55)57-41-31-53(32-42-57)54-33-43-60(44-34-54)62(58-35-25-50(26-36-58)46-15-7-2-8-16-46)59-37-27-51(28-38-59)47-17-9-3-10-18-47;1-3-12-29(13-4-1)36-27-37(42-40(41-36)30-14-5-2-6-15-30)32-17-11-16-31(26-32)28-22-24-33(25-23-28)43-38-20-9-7-18-34(38)35-19-8-10-21-39(35)43;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-44H;1-27H;3*1-6,11H;/q;;;;;+3/p-3.
What are the key properties of 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane?
9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane has a molecular weight of 1802.14 g/mol, XLogP of 33.06, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 157397360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).