N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline

C57H35F3N2O — CID 147678269

IUPACN-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline
SMILESCc1ccc(N(c2ccc(-c3cc4c(c5c3c3cccc6c7ccccc7n5c63)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C57H35F3N2O/c1-34-24-28-36(29-25-34)61(38-12-10-13-39(32-38)63-57(58,59)60)37-30-26-35(27-31-37)46-33-50-53(55-52(46)45-19-11-18-43-42-16-5-9-23-51(42)62(55)54(43)45)44-17-4-8-22-49(44)56(50)47-20-6-2-14-40(47)41-15-3-7-21-48(41)56/h2-33H,1H3
InChIKeyGOPBUVIYXDLLGF-UHFFFAOYSA-N
MW820.91 g/mol
LogP15.52
Rot. Bonds5

About N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline

N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline (PubChem CID 147678269) has the molecular formula C57H35F3N2O and a molecular weight of 820.91 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline
PubChem CID147678269
Molecular FormulaC57H35F3N2O
Molecular Weight820.91 g/mol
Exact Mass820.27
IUPAC NameN-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline
SMILESCc1ccc(N(c2ccc(-c3cc4c(c5c3c3cccc6c7ccccc7n5c63)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C57H35F3N2O/c1-34-24-28-36(29-25-34)61(38-12-10-13-39(32-38)63-57(58,59)60)37-30-26-35(27-31-37)46-33-50-53(55-52(46)45-19-11-18-43-42-16-5-9-23-51(42)62(55)54(43)45)44-17-4-8-22-49(44)56(50)47-20-6-2-14-40(47)41-15-3-7-21-48(41)56/h2-33H,1H3
InChIKeyGOPBUVIYXDLLGF-UHFFFAOYSA-N
XLogP15.52
TPSA16.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.91
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline with MolForge

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Related Compounds

9-(4-Tert-butylphenyl)-3,6-bis[9-(4-methoxyphenyl)fluoren-9-yl]carbazole
CID 53401213
N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine
CID 90164118
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
CID 121357412
9-[2-[4-[2-(3,6-Dimethoxycarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
CID 124174127
2-[5-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-4-(2-cyanophenyl)-2-(2,7-dimethoxycarbazol-9-yl)phenyl]benzonitrile
CID 132111893
3-Methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole
CID 134192420
3-Methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole
CID 134192424
9-[5-[3-(2,7-Dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole
CID 138736003
2-Methoxy-9-[5-[3-(2-methoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 138736102
2-Methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 138750207
9-[3-[5-(2,7-Dimethoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole
CID 138750208
N-[4-[4-(1,1-difluoroprop-1-en-2-yloxy)phenyl]phenyl]-N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 139472575

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline?
The IUPAC name of N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline (CID 147678269) is N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline is Cc1ccc(N(c2ccc(-c3cc4c(c5c3c3cccc6c7ccccc7n5c63)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline?
The InChIKey is GOPBUVIYXDLLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35F3N2O/c1-34-24-28-36(29-25-34)61(38-12-10-13-39(32-38)63-57(58,59)60)37-30-26-35(27-31-37)46-33-50-53(55-52(46)45-19-11-18-43-42-16-5-9-23-51(42)62(55)54(43)45)44-17-4-8-22-49(44)56(50)47-20-6-2-14-40(47)41-15-3-7-21-48(41)56/h2-33H,1H3.
What are the key properties of N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline?
N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline has a molecular weight of 820.91 g/mol, XLogP of 15.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(4-spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-ylphenyl)-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 147678269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).