N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane

C165H113AlN8O3 — CID 157052153

IUPACN-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C56H38N2.C44H32N2.C38H25N.3C9H7NO.Al/c1-4-16-40(17-5-1)55-48-23-10-12-25-50(48)56(51-26-13-11-24-49(51)55)41-30-35-46(36-31-41)57(43-18-6-2-7-19-43)45-33-28-39(29-34-45)42-32-37-54-52(38-42)47-22-14-15-27-53(47)58(54)44-20-8-3-9-21-44;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;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;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-38H;1-32H;1-25H;3*1-6,11H;/q;;;;;;+3/p-3
InChIKeyAAIIJRSYLAHHDL-UHFFFAOYSA-K
MW2282.75 g/mol
LogP44.44
Rot. Bonds23

About N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane

N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane (PubChem CID 157052153) has the molecular formula C165H113AlN8O3 and a molecular weight of 2282.75 g/mol. Its IUPAC name is N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane.

Molecular Properties

Compound NameN-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane
PubChem CID157052153
Molecular FormulaC165H113AlN8O3
Molecular Weight2282.75 g/mol
Exact Mass2280.88
IUPAC NameN-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C56H38N2.C44H32N2.C38H25N.3C9H7NO.Al/c1-4-16-40(17-5-1)55-48-23-10-12-25-50(48)56(51-26-13-11-24-49(51)55)41-30-35-46(36-31-41)57(43-18-6-2-7-19-43)45-33-28-39(29-34-45)42-32-37-54-52(38-42)47-22-14-15-27-53(47)58(54)44-20-8-3-9-21-44;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;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;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-38H;1-32H;1-25H;3*1-6,11H;/q;;;;;;+3/p-3
InChIKeyAAIIJRSYLAHHDL-UHFFFAOYSA-K
XLogP44.44
TPSA85.94 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.75
LogP ≤ 544.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane?
The IUPAC name of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane (CID 157052153) is N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane.
What is the SMILES notation for N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane?
The canonical SMILES for N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane?
The InChIKey is AAIIJRSYLAHHDL-UHFFFAOYSA-K. The full InChI is InChI=1S/C56H38N2.C44H32N2.C38H25N.3C9H7NO.Al/c1-4-16-40(17-5-1)55-48-23-10-12-25-50(48)56(51-26-13-11-24-49(51)55)41-30-35-46(36-31-41)57(43-18-6-2-7-19-43)45-33-28-39(29-34-45)42-32-37-54-52(38-42)47-22-14-15-27-53(47)58(54)44-20-8-3-9-21-44;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;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;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-38H;1-32H;1-25H;3*1-6,11H;/q;;;;;;+3/p-3.
What are the key properties of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane?
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane has a molecular weight of 2282.75 g/mol, XLogP of 44.44, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 157052153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).