N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine

C129H86N6OS6 — CID 165027954

IUPACN-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3N4c3ccc4c(c3)sc3ccccc34)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3N4c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(N(c2ccc3c(c2)Sc2ccccc2N3c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C45H32N2S2.C42H26N2OS2.C42H28N2S2/c1-45(2)37-16-8-6-14-33(37)34-23-20-30(26-38(34)45)46(29-12-4-3-5-13-29)31-22-25-40-44(28-31)49-42-19-11-9-17-39(42)47(40)32-21-24-36-35-15-7-10-18-41(35)48-43(36)27-32;1-2-10-27(11-3-1)43(28-18-21-32-31-12-4-7-15-37(31)45-38(32)24-28)29-20-23-36-42(26-29)47-40-17-9-6-14-35(40)44(36)30-19-22-34-33-13-5-8-16-39(33)46-41(34)25-30;1-3-11-29(12-4-1)30-19-21-32(22-20-30)43(31-13-5-2-6-14-31)33-24-26-38-42(28-33)46-40-18-10-8-16-37(40)44(38)34-23-25-36-35-15-7-9-17-39(35)45-41(36)27-34/h3-28H,1-2H3;1-26H;1-28H
InChIKeyMENUOKHXMCSUGB-UHFFFAOYSA-N
MW1928.55 g/mol
LogP40.25
Rot. Bonds13

About N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine

N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine (PubChem CID 165027954) has the molecular formula C129H86N6OS6 and a molecular weight of 1928.55 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine
PubChem CID165027954
Molecular FormulaC129H86N6OS6
Molecular Weight1928.55 g/mol
Exact Mass1926.52
IUPAC NameN-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3N4c3ccc4c(c3)sc3ccccc34)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3N4c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(N(c2ccc3c(c2)Sc2ccccc2N3c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C45H32N2S2.C42H26N2OS2.C42H28N2S2/c1-45(2)37-16-8-6-14-33(37)34-23-20-30(26-38(34)45)46(29-12-4-3-5-13-29)31-22-25-40-44(28-31)49-42-19-11-9-17-39(42)47(40)32-21-24-36-35-15-7-10-18-41(35)48-43(36)27-32;1-2-10-27(11-3-1)43(28-18-21-32-31-12-4-7-15-37(31)45-38(32)24-28)29-20-23-36-42(26-29)47-40-17-9-6-14-35(40)44(36)30-19-22-34-33-13-5-8-16-39(33)46-41(34)25-30;1-3-11-29(12-4-1)30-19-21-32(22-20-30)43(31-13-5-2-6-14-31)33-24-26-38-42(28-33)46-40-18-10-8-16-37(40)44(38)34-23-25-36-35-15-7-9-17-39(35)45-41(36)27-34/h3-28H,1-2H3;1-26H;1-28H
InChIKeyMENUOKHXMCSUGB-UHFFFAOYSA-N
XLogP40.25
TPSA32.58 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001928.55
LogP ≤ 540.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050290
17-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050121
N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177280961
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
10-[3-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]acridin-9-one;10-[3-[4-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]acridin-9-one;N-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3-phenothiazin-10-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-phenothiazin-10-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 161050395
N,N-bis[4-[4-(4-phenothiazin-10-ylphenyl)phenyl]phenyl]-4-phenylaniline;9,9-dimethyl-N,N-bis[4-[4-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 162159610
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-17-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050200
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-di(dibenzothiophen-3-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-dinaphthalen-2-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-diphenyl-1-N,3-N-bis(6-phenylnaphthalen-2-yl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine
CID 159629096
2-N-dibenzofuran-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;2-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 159611762
N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 158450745
3-N-dibenzofuran-3-yl-3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenothiazin-10-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118605136
3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 157361059

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine (CID 165027954) is N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3N4c3ccc4c(c3)sc3ccccc34)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3N4c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(N(c2ccc3c(c2)Sc2ccccc2N3c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine?
The InChIKey is MENUOKHXMCSUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2S2.C42H26N2OS2.C42H28N2S2/c1-45(2)37-16-8-6-14-33(37)34-23-20-30(26-38(34)45)46(29-12-4-3-5-13-29)31-22-25-40-44(28-31)49-42-19-11-9-17-39(42)47(40)32-21-24-36-35-15-7-10-18-41(35)48-43(36)27-32;1-2-10-27(11-3-1)43(28-18-21-32-31-12-4-7-15-37(31)45-38(32)24-28)29-20-23-36-42(26-29)47-40-17-9-6-14-35(40)44(36)30-19-22-34-33-13-5-8-16-39(33)46-41(34)25-30;1-3-11-29(12-4-1)30-19-21-32(22-20-30)43(31-13-5-2-6-14-31)33-24-26-38-42(28-33)46-40-18-10-8-16-37(40)44(38)34-23-25-36-35-15-7-9-17-39(35)45-41(36)27-34/h3-28H,1-2H3;1-26H;1-28H.
What are the key properties of N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine?
N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine has a molecular weight of 1928.55 g/mol, XLogP of 40.25, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine is sourced from PubChem (CID 165027954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).