7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene

C124H113N — CID 91189901

IUPAC7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.Cc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)=c2ccc4c5ccc6c7c(ccc(c8ccc=3c2c48)c75)=c2c(-c3ccccc3)c3ccccc3c(-c3ccc(C)cc3)c2=6)cc1.Cc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccccc1
InChIInChI=1S/C66H40.C31H46.C20H19N.C7H8/c1-37-21-25-41(26-22-37)57-45-19-11-9-17-43(45)55(39-13-5-3-6-14-39)63-51-33-29-47-50-32-36-54-62-52(34-30-48(60(50)62)49-31-35-53(65(57)63)61(51)59(47)49)64-56(40-15-7-4-8-16-40)44-18-10-12-20-46(44)58(66(54)64)42-27-23-38(2)24-28-42;1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;1-7-5-3-2-4-6-7/h3-36H,1-2H3;17-20,23-24H,5-16,21-22H2,1-4H3;3-15H,1-2H3;2-6H,1H3
InChIKeyKCMWNNSUPUJKIP-UHFFFAOYSA-N
MW1617.27 g/mol
LogP34.94
Rot. Bonds21

About 7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene

7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene (PubChem CID 91189901) has the molecular formula C124H113N and a molecular weight of 1617.27 g/mol. Its IUPAC name is 7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene.

Molecular Properties

Compound Name7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene
PubChem CID91189901
Molecular FormulaC124H113N
Molecular Weight1617.27 g/mol
Exact Mass1615.89
IUPAC Name7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.Cc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)=c2ccc4c5ccc6c7c(ccc(c8ccc=3c2c48)c75)=c2c(-c3ccccc3)c3ccccc3c(-c3ccc(C)cc3)c2=6)cc1.Cc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccccc1
InChIInChI=1S/C66H40.C31H46.C20H19N.C7H8/c1-37-21-25-41(26-22-37)57-45-19-11-9-17-43(45)55(39-13-5-3-6-14-39)63-51-33-29-47-50-32-36-54-62-52(34-30-48(60(50)62)49-31-35-53(65(57)63)61(51)59(47)49)64-56(40-15-7-4-8-16-40)44-18-10-12-20-46(44)58(66(54)64)42-27-23-38(2)24-28-42;1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;1-7-5-3-2-4-6-7/h3-36H,1-2H3;17-20,23-24H,5-16,21-22H2,1-4H3;3-15H,1-2H3;2-6H,1H3
InChIKeyKCMWNNSUPUJKIP-UHFFFAOYSA-N
XLogP34.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001617.27
LogP ≤ 534.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene with MolForge

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Related Compounds

3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 102383960
N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine
CID 89393937
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-6,6,12,12-tetrahexyl-8-methyl-N-phenylindeno[1,2-b]fluoren-2-amine
CID 71009487
9,9-dibutyl-N-(9,9-dibutyl-7-methylfluoren-2-yl)-N-[6-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphthalen-2-yl]-7-methylfluoren-2-amine
CID 168837093
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
CID 58151350
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N-methyl-N-phenylaniline;N-methyl-N-[4-(4-methylphenyl)phenyl]-4-octylaniline
CID 161002521
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine;4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N-methyl-N-phenylaniline;N-methyl-N-[4-(4-methylphenyl)phenyl]-4-octylaniline
CID 161230667
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,7-dimethyl-9,9-dioctylfluorene
CID 90971481
N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-N-[4-(5-methylthiophen-2-yl)phenyl]naphthalen-1-amine
CID 58793307

Frequently Asked Questions

What is the IUPAC name of 7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene?
The IUPAC name of 7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene (CID 91189901) is 7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene.
What is the SMILES notation for 7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene?
The canonical SMILES for 7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.Cc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)=c2ccc4c5ccc6c7c(ccc(c8ccc=3c2c48)c75)=c2c(-c3ccccc3)c3ccccc3c(-c3ccc(C)cc3)c2=6)cc1.Cc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccccc1.
What is the InChIKey of 7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene?
The InChIKey is KCMWNNSUPUJKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40.C31H46.C20H19N.C7H8/c1-37-21-25-41(26-22-37)57-45-19-11-9-17-43(45)55(39-13-5-3-6-14-39)63-51-33-29-47-50-32-36-54-62-52(34-30-48(60(50)62)49-31-35-53(65(57)63)61(51)59(47)49)64-56(40-15-7-4-8-16-40)44-18-10-12-20-46(44)58(66(54)64)42-27-23-38(2)24-28-42;1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;1-7-5-3-2-4-6-7/h3-36H,1-2H3;17-20,23-24H,5-16,21-22H2,1-4H3;3-15H,1-2H3;2-6H,1H3.
What are the key properties of 7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene?
7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene has a molecular weight of 1617.27 g/mol, XLogP of 34.94, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,25-bis(4-methylphenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene;2,7-dimethyl-9,9-dioctylfluorene;4-methyl-N-(4-methylphenyl)-N-phenylaniline;toluene is sourced from PubChem (CID 91189901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).