N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine

C51H31F3N2O — CID 148978317

IUPACN-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine
SMILESCc1ccccc1N(c1cccc(OC(F)(F)F)c1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccc3c4cccc5c6ccccc6n(c3c1-2)c54
InChIInChI=1S/C51H31F3N2O/c1-30-12-2-8-22-45(30)55(31-13-10-14-33(28-31)57-51(52,53)54)32-24-25-40-44(29-32)50(41-20-6-3-15-34(41)35-16-4-7-21-42(35)50)43-27-26-39-38-19-11-18-37-36-17-5-9-23-46(36)56(48(37)38)49(39)47(40)43/h2-29H,1H3
InChIKeyPVFUPRIHEQPUQT-UHFFFAOYSA-N
MW744.82 g/mol
LogP13.86
Rot. Bonds4

About N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine

N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine (PubChem CID 148978317) has the molecular formula C51H31F3N2O and a molecular weight of 744.82 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine
PubChem CID148978317
Molecular FormulaC51H31F3N2O
Molecular Weight744.82 g/mol
Exact Mass744.24
IUPAC NameN-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine
SMILESCc1ccccc1N(c1cccc(OC(F)(F)F)c1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccc3c4cccc5c6ccccc6n(c3c1-2)c54
InChIInChI=1S/C51H31F3N2O/c1-30-12-2-8-22-45(30)55(31-13-10-14-33(28-31)57-51(52,53)54)32-24-25-40-44(29-32)50(41-20-6-3-15-34(41)35-16-4-7-21-42(35)50)43-27-26-39-38-19-11-18-37-36-17-5-9-23-46(36)56(48(37)38)49(39)47(40)43/h2-29H,1H3
InChIKeyPVFUPRIHEQPUQT-UHFFFAOYSA-N
XLogP13.86
TPSA16.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.82
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine with MolForge

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Related Compounds

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-[3-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(2,7-dimethoxycarbazol-9-yl)phenyl]benzonitrile
CID 132112052
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
3-Methoxy-9-[3-[5-(3-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 138750236
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-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine?
The IUPAC name of N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine (CID 148978317) is N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine.
What is the SMILES notation for N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine?
The canonical SMILES for N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine is Cc1ccccc1N(c1cccc(OC(F)(F)F)c1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccc3c4cccc5c6ccccc6n(c3c1-2)c54.
What is the InChIKey of N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine?
The InChIKey is PVFUPRIHEQPUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31F3N2O/c1-30-12-2-8-22-45(30)55(31-13-10-14-33(28-31)57-51(52,53)54)32-24-25-40-44(29-32)50(41-20-6-3-15-34(41)35-16-4-7-21-42(35)50)43-27-26-39-38-19-11-18-37-36-17-5-9-23-46(36)56(48(37)38)49(39)47(40)43/h2-29H,1H3.
What are the key properties of N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine?
N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine has a molecular weight of 744.82 g/mol, XLogP of 13.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-[3-(trifluoromethoxy)phenyl]spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2(14),3(11),4(9),5,7,12,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7-amine is sourced from PubChem (CID 148978317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).