N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine

C60H35F3N2O — CID 147704588

IUPACN-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine
SMILESFC(F)(F)Oc1ccc(N(c2ccccc2)c2ccc3cc(-c4cc5c(c6c4c4cccc7c8ccccc8n6c74)-c4ccccc4C54c5ccccc5-c5ccccc54)ccc3c2)cc1
InChIInChI=1S/C60H35F3N2O/c61-60(62,63)66-42-31-29-40(30-32-42)64(39-13-2-1-3-14-39)41-28-27-36-33-38(26-25-37(36)34-41)49-35-53-56(58-55(49)48-20-12-19-46-45-17-7-11-24-54(45)65(58)57(46)48)47-18-6-10-23-52(47)59(53)50-21-8-4-15-43(50)44-16-5-9-22-51(44)59/h1-35H
InChIKeyGTNFQJWITLEXSQ-UHFFFAOYSA-N
MW856.95 g/mol
LogP16.37
Rot. Bonds5

About N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine

N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine (PubChem CID 147704588) has the molecular formula C60H35F3N2O and a molecular weight of 856.95 g/mol. Its IUPAC name is N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine
PubChem CID147704588
Molecular FormulaC60H35F3N2O
Molecular Weight856.95 g/mol
Exact Mass856.27
IUPAC NameN-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine
SMILESFC(F)(F)Oc1ccc(N(c2ccccc2)c2ccc3cc(-c4cc5c(c6c4c4cccc7c8ccccc8n6c74)-c4ccccc4C54c5ccccc5-c5ccccc54)ccc3c2)cc1
InChIInChI=1S/C60H35F3N2O/c61-60(62,63)66-42-31-29-40(30-32-42)64(39-13-2-1-3-14-39)41-28-27-36-33-38(26-25-37(36)34-41)49-35-53-56(58-55(49)48-20-12-19-46-45-17-7-11-24-54(45)65(58)57(46)48)47-18-6-10-23-52(47)59(53)50-21-8-4-15-43(50)44-16-5-9-22-51(44)59/h1-35H
InChIKeyGTNFQJWITLEXSQ-UHFFFAOYSA-N
XLogP16.37
TPSA16.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.95
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 90306209
5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine
CID 121357331
9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546733
N-[3-[10-[3-[N-naphthalen-1-yl-4-(1,2,2-trifluoroethenoxy)anilino]phenyl]-13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,15,17-octaen-5-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]naphthalen-1-amine
CID 123644805
9-[2-[4-[2-(3,6-Dimethoxycarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
CID 124173938
9-[2-[4-[2-(3,6-Dimethoxycarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,5-dimethylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
CID 124174127
N-[3-[10-[3-[N-naphthalen-1-yl-4-(1,2,2-trifluoroethenoxy)anilino]phenyl]-13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]naphthalen-1-amine
CID 126624344
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
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-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine (CID 147704588) is N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine is FC(F)(F)Oc1ccc(N(c2ccccc2)c2ccc3cc(-c4cc5c(c6c4c4cccc7c8ccccc8n6c74)-c4ccccc4C54c5ccccc5-c5ccccc54)ccc3c2)cc1.
What is the InChIKey of N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine?
The InChIKey is GTNFQJWITLEXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35F3N2O/c61-60(62,63)66-42-31-29-40(30-32-42)64(39-13-2-1-3-14-39)41-28-27-36-33-38(26-25-37(36)34-41)49-35-53-56(58-55(49)48-20-12-19-46-45-17-7-11-24-54(45)65(58)57(46)48)47-18-6-10-23-52(47)59(53)50-21-8-4-15-43(50)44-16-5-9-22-51(44)59/h1-35H.
What are the key properties of N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine?
N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine has a molecular weight of 856.95 g/mol, XLogP of 16.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-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-yl-N-[4-(trifluoromethoxy)phenyl]naphthalen-2-amine is sourced from PubChem (CID 147704588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).