4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline

C48H28F6N2 — CID 88554992

IUPAC4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(N(c2ccc(-c3ccc4ccc5cc6c(c7ccc3c4c57)c3ccccc3n6-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C48H28F6N2/c49-47(50,51)32-15-21-36(22-16-32)55(37-23-17-33(18-24-37)48(52,53)54)35-19-12-29(13-20-35)38-25-14-30-10-11-31-28-43-46(41-27-26-39(38)44(30)45(31)41)40-8-4-5-9-42(40)56(43)34-6-2-1-3-7-34/h1-28H
InChIKeyWIUXBDIBJDJMGS-UHFFFAOYSA-N
MW746.75 g/mol
LogP14.86
Rot. Bonds5

About 4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline

4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline (PubChem CID 88554992) has the molecular formula C48H28F6N2 and a molecular weight of 746.75 g/mol. Its IUPAC name is 4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline
PubChem CID88554992
Molecular FormulaC48H28F6N2
Molecular Weight746.75 g/mol
Exact Mass746.22
IUPAC Name4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(N(c2ccc(-c3ccc4ccc5cc6c(c7ccc3c4c57)c3ccccc3n6-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C48H28F6N2/c49-47(50,51)32-15-21-36(22-16-32)55(37-23-17-33(18-24-37)48(52,53)54)35-19-12-29(13-20-35)38-25-14-30-10-11-31-28-43-46(41-27-26-39(38)44(30)45(31)41)40-8-4-5-9-42(40)56(43)34-6-2-1-3-7-34/h1-28H
InChIKeyWIUXBDIBJDJMGS-UHFFFAOYSA-N
XLogP14.86
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.75
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline with MolForge

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Related Compounds

4-(6-carbazol-9-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-N,N-diphenylaniline
CID 87411980
N,N-diphenyl-7-(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)phenanthren-2-amine
CID 87411950
4-(6-carbazol-9-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-18-yl)-N,N-diphenylaniline
CID 88555045
N,3,5-triphenyl-N-[4-(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(23),16,18,20-undecaen-18-yl)phenyl]aniline
CID 88554974
N-phenyl-N-[4-(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]naphthalen-1-amine
CID 87411915
N-phenyl-N-[4-(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(23),16,18,20-undecaen-18-yl)phenyl]pyridin-2-amine
CID 88554999
4-phenyl-N-[4-(3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 89341685
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]aniline
CID 138467780
4-[5-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-18-yl]-N,N-diphenylaniline;methane
CID 161076042
9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260
5-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 58050114
4-naphthalen-1-yl-N-phenyl-N-[4-(7-phenylbenzo[c]carbazol-5-yl)phenyl]aniline
CID 170177852

Frequently Asked Questions

What is the IUPAC name of 4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline (CID 88554992) is 4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline is FC(F)(F)c1ccc(N(c2ccc(-c3ccc4ccc5cc6c(c7ccc3c4c57)c3ccccc3n6-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is WIUXBDIBJDJMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28F6N2/c49-47(50,51)32-15-21-36(22-16-32)55(37-23-17-33(18-24-37)48(52,53)54)35-19-12-29(13-20-35)38-25-14-30-10-11-31-28-43-46(41-27-26-39(38)44(30)45(31)41)40-8-4-5-9-42(40)56(43)34-6-2-1-3-7-34/h1-28H.
What are the key properties of 4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline?
4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 746.75 g/mol, XLogP of 14.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(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(23),16,18,20-undecaen-18-yl)-N,N-bis[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 88554992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).