N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine

C142H98N6O — CID 161392037

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5c5ccccc45)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccccc5c5ccccc45)cc3)c3cccc4oc5ccccc5c34)cc21.c1ccc(N(c2ccc(-c3nc4ccccc4c4ccccc34)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C50H32N2.C46H32N2O.C46H34N2/c1-2-15-34(16-3-1)52(35-31-29-33(30-32-35)49-40-21-5-4-17-36(40)39-20-9-13-27-46(39)51-49)47-28-14-26-45-48(47)41-22-8-12-25-44(41)50(45)42-23-10-6-18-37(42)38-19-7-11-24-43(38)50;1-46(2)38-17-8-5-13-33(38)34-27-26-31(28-39(34)46)48(41-19-11-21-43-44(41)37-16-7-10-20-42(37)49-43)30-24-22-29(23-25-30)45-36-15-4-3-12-32(36)35-14-6-9-18-40(35)47-45;1-46(2)40-19-10-8-18-39(40)44-41(46)20-12-22-43(44)48(34-27-23-32(24-28-34)31-13-4-3-5-14-31)35-29-25-33(26-30-35)45-38-17-7-6-15-36(38)37-16-9-11-21-42(37)47-45/h1-32H;3-28H,1-2H3;3-30H,1-2H3
InChIKeyVTCNSUNCGXTHFU-UHFFFAOYSA-N
MW1904.39 g/mol
LogP38.10
Rot. Bonds13

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 161392037) has the molecular formula C142H98N6O and a molecular weight of 1904.39 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
PubChem CID161392037
Molecular FormulaC142H98N6O
Molecular Weight1904.39 g/mol
Exact Mass1902.78
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5c5ccccc45)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccccc5c5ccccc45)cc3)c3cccc4oc5ccccc5c34)cc21.c1ccc(N(c2ccc(-c3nc4ccccc4c4ccccc34)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C50H32N2.C46H32N2O.C46H34N2/c1-2-15-34(16-3-1)52(35-31-29-33(30-32-35)49-40-21-5-4-17-36(40)39-20-9-13-27-46(39)51-49)47-28-14-26-45-48(47)41-22-8-12-25-44(41)50(45)42-23-10-6-18-37(42)38-19-7-11-24-43(38)50;1-46(2)38-17-8-5-13-33(38)34-27-26-31(28-39(34)46)48(41-19-11-21-43-44(41)37-16-7-10-20-42(37)49-43)30-24-22-29(23-25-30)45-36-15-4-3-12-32(36)35-14-6-9-18-40(35)47-45;1-46(2)40-19-10-8-18-39(40)44-41(46)20-12-22-43(44)48(34-27-23-32(24-28-34)31-13-4-3-5-14-31)35-29-25-33(26-30-35)45-38-17-7-6-15-36(38)37-16-9-11-21-42(37)47-45/h1-32H;3-28H,1-2H3;3-30H,1-2H3
InChIKeyVTCNSUNCGXTHFU-UHFFFAOYSA-N
XLogP38.10
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001904.39
LogP ≤ 538.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine with MolForge

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Related Compounds

N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 130263964
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[2-[1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138481428
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312683
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 121391790
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 158436441
N-[4-(9,9-dimethyl-1-phenylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 135271066
N-[3-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)-5-phenylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167118083
N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 156524645

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine (CID 161392037) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5c5ccccc45)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccccc5c5ccccc45)cc3)c3cccc4oc5ccccc5c34)cc21.c1ccc(N(c2ccc(-c3nc4ccccc4c4ccccc34)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is VTCNSUNCGXTHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2.C46H32N2O.C46H34N2/c1-2-15-34(16-3-1)52(35-31-29-33(30-32-35)49-40-21-5-4-17-36(40)39-20-9-13-27-46(39)51-49)47-28-14-26-45-48(47)41-22-8-12-25-44(41)50(45)42-23-10-6-18-37(42)38-19-7-11-24-43(38)50;1-46(2)38-17-8-5-13-33(38)34-27-26-31(28-39(34)46)48(41-19-11-21-43-44(41)37-16-7-10-20-42(37)49-43)30-24-22-29(23-25-30)45-36-15-4-3-12-32(36)35-14-6-9-18-40(35)47-45;1-46(2)40-19-10-8-18-39(40)44-41(46)20-12-22-43(44)48(34-27-23-32(24-28-34)31-13-4-3-5-14-31)35-29-25-33(26-30-35)45-38-17-7-6-15-36(38)37-16-9-11-21-42(37)47-45/h1-32H;3-28H,1-2H3;3-30H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 1904.39 g/mol, XLogP of 38.10, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthridin-6-ylphenyl)dibenzofuran-1-amine;9,9-dimethyl-N-(4-phenanthridin-6-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;N-(4-phenanthridin-6-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 161392037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).