N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline

C62H51N — CID 145350869

IUPACN,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4cc5ccccc5cc4c3-c3ccccc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C62H51N/c1-61(2,3)45-26-32-48(33-27-45)63(49-34-28-46(29-35-49)62(4,5)6)47-30-24-40(25-31-47)50-36-37-53-58-51(50)22-15-23-52(58)59-56(41-16-9-7-10-17-41)54-38-43-20-13-14-21-44(43)39-55(54)57(60(53)59)42-18-11-8-12-19-42/h7-39H,1-6H3
InChIKeyLBXSWUCSKLNYSQ-UHFFFAOYSA-N
MW810.10 g/mol
LogP17.86
Rot. Bonds6

About N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline

N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline (PubChem CID 145350869) has the molecular formula C62H51N and a molecular weight of 810.10 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline
PubChem CID145350869
Molecular FormulaC62H51N
Molecular Weight810.10 g/mol
Exact Mass809.40
IUPAC NameN,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4cc5ccccc5cc4c3-c3ccccc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C62H51N/c1-61(2,3)45-26-32-48(33-27-45)63(49-34-28-46(29-35-49)62(4,5)6)47-30-24-40(25-31-47)50-36-37-53-58-51(50)22-15-23-52(58)59-56(41-16-9-7-10-17-41)54-38-43-20-13-14-21-44(43)39-55(54)57(60(53)59)42-18-11-8-12-19-42/h7-39H,1-6H3
InChIKeyLBXSWUCSKLNYSQ-UHFFFAOYSA-N
XLogP17.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.10
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline with MolForge

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Related Compounds

4-[21-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-14-(4-cyanophenyl)-3-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaenyl]benzonitrile
CID 134507033
9-tert-butyl-3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene
CID 58390207
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline
CID 158190422
4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline
CID 168837037
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589657
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
7,12-bis(3,5-ditert-butylphenyl)-3-fluoranthen-8-ylbenzo[k]fluoranthene
CID 58390239
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline (CID 145350869) is N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline is CC(C)(C)c1ccc(N(c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4cc5ccccc5cc4c3-c3ccccc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline?
The InChIKey is LBXSWUCSKLNYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H51N/c1-61(2,3)45-26-32-48(33-27-45)63(49-34-28-46(29-35-49)62(4,5)6)47-30-24-40(25-31-47)50-36-37-53-58-51(50)22-15-23-52(58)59-56(41-16-9-7-10-17-41)54-38-43-20-13-14-21-44(43)39-55(54)57(60(53)59)42-18-11-8-12-19-42/h7-39H,1-6H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline?
N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline has a molecular weight of 810.10 g/mol, XLogP of 17.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-4-(3,14-diphenyl-19-hexacyclo[14.7.1.02,15.04,13.06,11.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaenyl)aniline is sourced from PubChem (CID 145350869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).