N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline

C66H45FN2 — CID 118371200

IUPACN-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline
SMILESCc1cc(-c2ccc(N(c3ccccc3-c3ccccc3)c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)cc2)c2ccc3c(C)c4c(c5ccc1c2c35)c1ccccc1n4-c1ccccc1
InChIInChI=1S/C66H45FN2/c1-42-39-57(54-37-36-52-43(2)65-64(56-38-35-51(42)62(54)63(52)56)55-28-16-18-30-61(55)68(65)49-25-13-6-14-26-49)47-31-33-50(34-32-47)69(60-29-17-15-27-53(60)45-21-9-4-10-22-45)66-58(46-23-11-5-12-24-46)40-48(41-59(66)67)44-19-7-3-8-20-44/h3-41H,1-2H3
InChIKeyAJMBTYWMSNHDDZ-UHFFFAOYSA-N
MW885.10 g/mol
LogP18.57
Rot. Bonds8

About N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline

N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline (PubChem CID 118371200) has the molecular formula C66H45FN2 and a molecular weight of 885.10 g/mol. Its IUPAC name is N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline
PubChem CID118371200
Molecular FormulaC66H45FN2
Molecular Weight885.10 g/mol
Exact Mass884.36
IUPAC NameN-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline
SMILESCc1cc(-c2ccc(N(c3ccccc3-c3ccccc3)c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)cc2)c2ccc3c(C)c4c(c5ccc1c2c35)c1ccccc1n4-c1ccccc1
InChIInChI=1S/C66H45FN2/c1-42-39-57(54-37-36-52-43(2)65-64(56-38-35-51(42)62(54)63(52)56)55-28-16-18-30-61(55)68(65)49-25-13-6-14-26-49)47-31-33-50(34-32-47)69(60-29-17-15-27-53(60)45-21-9-4-10-22-45)66-58(46-23-11-5-12-24-46)40-48(41-59(66)67)44-19-7-3-8-20-44/h3-41H,1-2H3
InChIKeyAJMBTYWMSNHDDZ-UHFFFAOYSA-N
XLogP18.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.10
LogP ≤ 518.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline with MolForge

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Related Compounds

N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)dibenzofuran-4-amine
CID 118371198
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[c]carbazol-5-amine
CID 145362464
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287924
2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847633
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307730
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]carbazol-2-amine
CID 155034262
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
2-fluoro-N-[4-[19-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaen-3-yl]phenyl]-N,4,6-triphenylaniline
CID 89115151
N-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156

Frequently Asked Questions

What is the IUPAC name of N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline (CID 118371200) is N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline is Cc1cc(-c2ccc(N(c3ccccc3-c3ccccc3)c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)cc2)c2ccc3c(C)c4c(c5ccc1c2c35)c1ccccc1n4-c1ccccc1.
What is the InChIKey of N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline?
The InChIKey is AJMBTYWMSNHDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45FN2/c1-42-39-57(54-37-36-52-43(2)65-64(56-38-35-51(42)62(54)63(52)56)55-28-16-18-30-61(55)68(65)49-25-13-6-14-26-49)47-31-33-50(34-32-47)69(60-29-17-15-27-53(60)45-21-9-4-10-22-45)66-58(46-23-11-5-12-24-46)40-48(41-59(66)67)44-19-7-3-8-20-44/h3-41H,1-2H3.
What are the key properties of N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline?
N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline has a molecular weight of 885.10 g/mol, XLogP of 18.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11,18-dimethyl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-2-fluoro-4,6-diphenyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 118371200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).