N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine

C52H34N2O — CID 129092412

IUPACN-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)N(c4ccccc4)c4ccccc4-5)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-3-12-35(13-4-1)36-22-26-39(27-23-36)53(41-30-33-51-47(34-41)44-17-8-10-21-50(44)55-51)40-28-24-37(25-29-40)42-31-32-46-43-16-7-9-19-48(43)54(38-14-5-2-6-15-38)49-20-11-18-45(42)52(46)49/h1-34H
InChIKeyXDQDIGMFVXQZMW-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.99
Rot. Bonds6

About N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine

N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 129092412) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID129092412
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)N(c4ccccc4)c4ccccc4-5)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-3-12-35(13-4-1)36-22-26-39(27-23-36)53(41-30-33-51-47(34-41)44-17-8-10-21-50(44)55-51)40-28-24-37(25-29-40)42-31-32-46-43-16-7-9-19-48(43)54(38-14-5-2-6-15-38)49-20-11-18-45(42)52(46)49/h1-34H
InChIKeyXDQDIGMFVXQZMW-UHFFFAOYSA-N
XLogP14.99
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine with MolForge

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Related Compounds

N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129092415
N-dibenzofuran-2-yl-8-phenyl-N-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine
CID 129092397
9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 129092407
N-[4-(14-dibenzofuran-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129062185
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N,N-diphenyl-8-(25-phenyl-15-oxa-8,25-diazahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine
CID 167004439
N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine
CID 153260612
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine
CID 165023710
N-dibenzofuran-2-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240558
N-dibenzofuran-2-yl-9-phenyl-N,5-bis(4-phenylphenyl)carbazol-3-amine
CID 169010452
N-phenyl-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-2-amine
CID 168750812

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 129092412) is N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)N(c4ccccc4)c4ccccc4-5)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is XDQDIGMFVXQZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-3-12-35(13-4-1)36-22-26-39(27-23-36)53(41-30-33-51-47(34-41)44-17-8-10-21-50(44)55-51)40-28-24-37(25-29-40)42-31-32-46-43-16-7-9-19-48(43)54(38-14-5-2-6-15-38)49-20-11-18-45(42)52(46)49/h1-34H.
What are the key properties of N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 702.86 g/mol, XLogP of 14.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 129092412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).