10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine

C139H92N6O3S3 — CID 164975730

IUPAC10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3N4c3ccc4c(c3)sc3ccccc34)c3cccc4ccccc34)cc21.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)Oc2ccccc2N3c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)Oc2ccccc2N3c2ccc3c(c2)sc2ccccc23)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C49H34N2OS.C46H30N2OS.C44H28N2OS/c1-49(2)40-17-7-5-15-36(40)37-25-22-32(28-41(37)49)50(42-19-11-13-31-12-3-4-14-35(31)42)33-24-27-44-46(29-33)52-45-20-9-8-18-43(45)51(44)34-23-26-39-38-16-6-10-21-47(38)53-48(39)30-34;1-2-12-35(13-3-1)47(36-22-20-32(21-23-36)34-19-18-31-10-4-5-11-33(31)28-34)37-25-27-42-44(29-37)49-43-16-8-7-15-41(43)48(42)38-24-26-40-39-14-6-9-17-45(39)50-46(40)30-38;1-2-11-31(12-3-1)45(32-20-23-36-30(26-32)19-18-29-10-4-5-13-35(29)36)33-22-25-40-42(27-33)47-41-16-8-7-15-39(41)46(40)34-21-24-38-37-14-6-9-17-43(37)48-44(38)28-34/h3-30H,1-2H3;1-30H;1-28H
InChIKeyDTCDCKJILMPIIM-UHFFFAOYSA-N
MW1990.50 g/mol
LogP41.89
Rot. Bonds13

About 10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine

10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine (PubChem CID 164975730) has the molecular formula C139H92N6O3S3 and a molecular weight of 1990.50 g/mol. Its IUPAC name is 10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine.

Molecular Properties

Compound Name10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine
PubChem CID164975730
Molecular FormulaC139H92N6O3S3
Molecular Weight1990.50 g/mol
Exact Mass1988.64
IUPAC Name10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3N4c3ccc4c(c3)sc3ccccc34)c3cccc4ccccc34)cc21.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)Oc2ccccc2N3c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)Oc2ccccc2N3c2ccc3c(c2)sc2ccccc23)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C49H34N2OS.C46H30N2OS.C44H28N2OS/c1-49(2)40-17-7-5-15-36(40)37-25-22-32(28-41(37)49)50(42-19-11-13-31-12-3-4-14-35(31)42)33-24-27-44-46(29-33)52-45-20-9-8-18-43(45)51(44)34-23-26-39-38-16-6-10-21-47(38)53-48(39)30-34;1-2-12-35(13-3-1)47(36-22-20-32(21-23-36)34-19-18-31-10-4-5-11-33(31)28-34)37-25-27-42-44(29-37)49-43-16-8-7-15-41(43)48(42)38-24-26-40-39-14-6-9-17-45(39)50-46(40)30-38;1-2-11-31(12-3-1)45(32-20-23-36-30(26-32)19-18-29-10-4-5-13-35(29)36)33-22-25-40-42(27-33)47-41-16-8-7-15-39(41)46(40)34-21-24-38-37-14-6-9-17-43(37)48-44(38)28-34/h3-30H,1-2H3;1-30H;1-28H
InChIKeyDTCDCKJILMPIIM-UHFFFAOYSA-N
XLogP41.89
TPSA47.13 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001990.50
LogP ≤ 541.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine with MolForge

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Related Compounds

N-dibenzothiophen-2-yl-10-dibenzothiophen-3-yl-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-(3-phenylphenyl)phenoxazin-3-amine
CID 165105763
10-dibenzothiophen-3-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenoxazin-3-amine
CID 164811783
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323779
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine
CID 129133864
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
N-[4-(9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2'-phenoxazin-10-yl-N-phenyl-9,9'-spirobi[fluorene]-4-amine;4-phenothiazin-10-yl-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;2'-phenoxazin-10-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 160695196
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158464219
15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine
CID 158439905
N-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine;10-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)phenoxazin-3-amine;10-dibenzofuran-3-yl-N-naphthalen-2-yl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine
CID 165037780

Frequently Asked Questions

What is the IUPAC name of 10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine?
The IUPAC name of 10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine (CID 164975730) is 10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine.
What is the SMILES notation for 10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine?
The canonical SMILES for 10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3N4c3ccc4c(c3)sc3ccccc34)c3cccc4ccccc34)cc21.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)Oc2ccccc2N3c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)Oc2ccccc2N3c2ccc3c(c2)sc2ccccc23)c2ccc3c(ccc4ccccc43)c2)cc1.
What is the InChIKey of 10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine?
The InChIKey is DTCDCKJILMPIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2OS.C46H30N2OS.C44H28N2OS/c1-49(2)40-17-7-5-15-36(40)37-25-22-32(28-41(37)49)50(42-19-11-13-31-12-3-4-14-35(31)42)33-24-27-44-46(29-33)52-45-20-9-8-18-43(45)51(44)34-23-26-39-38-16-6-10-21-47(38)53-48(39)30-34;1-2-12-35(13-3-1)47(36-22-20-32(21-23-36)34-19-18-31-10-4-5-11-33(31)28-34)37-25-27-42-44(29-37)49-43-16-8-7-15-41(43)48(42)38-24-26-40-39-14-6-9-17-45(39)50-46(40)30-38;1-2-11-31(12-3-1)45(32-20-23-36-30(26-32)19-18-29-10-4-5-13-35(29)36)33-22-25-40-42(27-33)47-41-16-8-7-15-39(41)46(40)34-21-24-38-37-14-6-9-17-43(37)48-44(38)28-34/h3-30H,1-2H3;1-30H;1-28H.
What are the key properties of 10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine?
10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine has a molecular weight of 1990.50 g/mol, XLogP of 41.89, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylphenoxazin-3-amine;10-dibenzothiophen-3-yl-N-phenanthren-2-yl-N-phenylphenoxazin-3-amine is sourced from PubChem (CID 164975730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).