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

C61H40N2O — CID 168750812

IUPACN-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
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc3)cc3c2-c2cccc4c2C3(c2ccccc2)c2ccccc2N4c2ccccc2)cc1
InChIInChI=1S/C61H40N2O/c1-5-18-42(19-6-1)51-38-43(41-32-34-47(35-33-41)62(45-22-9-3-10-23-45)48-36-37-58-52(40-48)49-26-13-16-31-57(49)64-58)39-54-59(51)50-27-17-30-56-60(50)61(54,44-20-7-2-8-21-44)53-28-14-15-29-55(53)63(56)46-24-11-4-12-25-46/h1-40H
InChIKeyZSCACCUTESREGX-UHFFFAOYSA-N
MW817.00 g/mol
LogP16.54
Rot. Bonds7

About 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

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 (PubChem CID 168750812) has the molecular formula C61H40N2O and a molecular weight of 817.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID168750812
Molecular FormulaC61H40N2O
Molecular Weight817.00 g/mol
Exact Mass816.31
IUPAC NameN-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
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc3)cc3c2-c2cccc4c2C3(c2ccccc2)c2ccccc2N4c2ccccc2)cc1
InChIInChI=1S/C61H40N2O/c1-5-18-42(19-6-1)51-38-43(41-32-34-47(35-33-41)62(45-22-9-3-10-23-45)48-36-37-58-52(40-48)49-26-13-16-31-57(49)64-58)39-54-59(51)50-27-17-30-56-60(50)61(54,44-20-7-2-8-21-44)53-28-14-15-29-55(53)63(56)46-24-11-4-12-25-46/h1-40H
InChIKeyZSCACCUTESREGX-UHFFFAOYSA-N
XLogP16.54
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.00
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine
CID 168750620
N-dibenzofuran-2-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240558
N-(4-dibenzofuran-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzofuran-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]dibenzofuran-2-amine
CID 159499661
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 159899599
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
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
N-[4-[9-[4-(N-dibenzofuran-4-ylanilino)phenyl]-10-phenylacridin-9-yl]phenyl]-N-phenyldibenzofuran-4-amine;4-(9,10-diphenylacridin-9-yl)-N-[4-(9,10-diphenylacridin-9-yl)phenyl]-N-phenylaniline
CID 161331273
2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine
CID 155483177
N-(9,9-dimethylfluoren-2-yl)-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]dibenzothiophen-4-amine
CID 168750843
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723
N-(3-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166750
N,N-diphenyl-4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]aniline;N,9-diphenyl-N-[4-(7,9,9-triphenylfluoren-4-yl)phenyl]carbazol-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline;N-(4-phenylphenyl)-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-(7,9,9-triphenylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 160866255

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc3)cc3c2-c2cccc4c2C3(c2ccccc2)c2ccccc2N4c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is ZSCACCUTESREGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O/c1-5-18-42(19-6-1)51-38-43(41-32-34-47(35-33-41)62(45-22-9-3-10-23-45)48-36-37-58-52(40-48)49-26-13-16-31-57(49)64-58)39-54-59(51)50-27-17-30-56-60(50)61(54,44-20-7-2-8-21-44)53-28-14-15-29-55(53)63(56)46-24-11-4-12-25-46/h1-40H.
What are the key properties of 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?
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 has a molecular weight of 817.00 g/mol, XLogP of 16.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168750812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).