1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane

C254H171AlN10O3 — CID 157247134

IUPAC1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc5ccc2c3c54)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C78H52N2.C44H29N.C43H31N.C38H25N.C24H16N2.3C9H7NO.Al/c1-5-21-55(22-6-1)77(69-33-17-13-29-63(69)64-30-14-18-34-70(64)77)57-41-45-61(46-42-57)79(59-25-9-3-10-26-59)73-51-39-53-38-50-68-74(52-40-54-37-49-67(73)75(53)76(54)68)80(60-27-11-4-12-28-60)62-47-43-58(44-48-62)78(56-23-7-2-8-24-56)71-35-19-15-31-65(71)66-32-16-20-36-72(66)78;1-3-13-31(14-4-1)43-36-18-7-9-20-38(36)44(39-21-10-8-19-37(39)43)32-25-23-30(24-26-32)33-27-28-42-40(29-33)35-17-11-12-22-41(35)45(42)34-15-5-2-6-16-34;1-4-14-32(15-5-1)33-24-28-37(29-25-33)44(36-18-8-3-9-19-36)38-30-26-35(27-31-38)43(34-16-6-2-7-17-34)41-22-12-10-20-39(41)40-21-11-13-23-42(40)43;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-52H;1-29H;1-31H;1-25H;1-16H;3*1-6,11H;/q;;;;;;;;+3/p-3
InChIKeyAVXKMYPIBZZELV-UHFFFAOYSA-K
MW3438.21 g/mol
LogP65.92
Rot. Bonds31

About 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane

1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane (PubChem CID 157247134) has the molecular formula C254H171AlN10O3 and a molecular weight of 3438.21 g/mol. Its IUPAC name is 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane.

Molecular Properties

Compound Name1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane
PubChem CID157247134
Molecular FormulaC254H171AlN10O3
Molecular Weight3438.21 g/mol
Exact Mass3435.34
IUPAC Name1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc5ccc2c3c54)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C78H52N2.C44H29N.C43H31N.C38H25N.C24H16N2.3C9H7NO.Al/c1-5-21-55(22-6-1)77(69-33-17-13-29-63(69)64-30-14-18-34-70(64)77)57-41-45-61(46-42-57)79(59-25-9-3-10-26-59)73-51-39-53-38-50-68-74(52-40-54-37-49-67(73)75(53)76(54)68)80(60-27-11-4-12-28-60)62-47-43-58(44-48-62)78(56-23-7-2-8-24-56)71-35-19-15-31-65(71)66-32-16-20-36-72(66)78;1-3-13-31(14-4-1)43-36-18-7-9-20-38(36)44(39-21-10-8-19-37(39)43)32-25-23-30(24-26-32)33-27-28-42-40(29-33)35-17-11-12-22-41(35)45(42)34-15-5-2-6-16-34;1-4-14-32(15-5-1)33-24-28-37(29-25-33)44(36-18-8-3-9-19-36)38-30-26-35(27-31-38)43(34-16-6-2-7-17-34)41-22-12-10-20-39(41)40-21-11-13-23-42(40)43;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-52H;1-29H;1-31H;1-25H;1-16H;3*1-6,11H;/q;;;;;;;;+3/p-3
InChIKeyAVXKMYPIBZZELV-UHFFFAOYSA-K
XLogP65.92
TPSA111.72 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds31
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003438.21
LogP ≤ 565.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane with MolForge

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Related Compounds

CID 157251634
CID 157251634
(2E)-2-[(12Z)-2-[3,5-bis(trifluoromethyl)phenyl]-12-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;tri(quinolin-8-yloxy)alumane
CID 160838698
Tricopper;hexakis(5,7-dimethylquinolin-8-olate)
CID 139040557
Tris(benzo[f]quinolin-5-yloxy)alumane
CID 20608027
[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
Tris[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]alumane
CID 58876414
Bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane
CID 58876444
[4-[4-[7-[4-[4-Di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-3,6-dimethyl-9,9-dioctylfluoren-2-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane
CID 140587351
[4-[4-[9-[4-[4-Di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-3,6-dimethylfluoren-9-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane
CID 140587353
[4-[4-[6-[4-[4-Di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane
CID 140587356
3-N,6-N-bis[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-3-N,6-N,2,7-tetramethyl-9,9-dioctylfluorene-3,6-diamine
CID 140587357

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane?
The IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane (CID 157247134) is 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane.
What is the SMILES notation for 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane?
The canonical SMILES for 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc5ccc2c3c54)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane?
The InChIKey is AVXKMYPIBZZELV-UHFFFAOYSA-K. The full InChI is InChI=1S/C78H52N2.C44H29N.C43H31N.C38H25N.C24H16N2.3C9H7NO.Al/c1-5-21-55(22-6-1)77(69-33-17-13-29-63(69)64-30-14-18-34-70(64)77)57-41-45-61(46-42-57)79(59-25-9-3-10-26-59)73-51-39-53-38-50-68-74(52-40-54-37-49-67(73)75(53)76(54)68)80(60-27-11-4-12-28-60)62-47-43-58(44-48-62)78(56-23-7-2-8-24-56)71-35-19-15-31-65(71)66-32-16-20-36-72(66)78;1-3-13-31(14-4-1)43-36-18-7-9-20-38(36)44(39-21-10-8-19-37(39)43)32-25-23-30(24-26-32)33-27-28-42-40(29-33)35-17-11-12-22-41(35)45(42)34-15-5-2-6-16-34;1-4-14-32(15-5-1)33-24-28-37(29-25-33)44(36-18-8-3-9-19-36)38-30-26-35(27-31-38)43(34-16-6-2-7-17-34)41-22-12-10-20-39(41)40-21-11-13-23-42(40)43;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-52H;1-29H;1-31H;1-25H;1-16H;3*1-6,11H;/q;;;;;;;;+3/p-3.
What are the key properties of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane?
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane has a molecular weight of 3438.21 g/mol, XLogP of 65.92, 31 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 157247134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).