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

C147H102N6O2S2 — CID 162159610

IUPACN,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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)cc4)cc3)c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)cc4)cc3)c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C75H53N3O2.C72H49N3S2/c1-75(2)65-14-4-3-13-63(65)64-48-47-62(49-66(64)75)76(58-39-31-54(32-40-58)50-23-27-52(28-24-50)56-35-43-60(44-36-56)77-67-15-5-9-19-71(67)79-72-20-10-6-16-68(72)77)59-41-33-55(34-42-59)51-25-29-53(30-26-51)57-37-45-61(46-38-57)78-69-17-7-11-21-73(69)80-74-22-12-8-18-70(74)78;1-2-12-50(13-3-1)55-30-40-60(41-31-55)73(61-42-32-56(33-43-61)51-22-26-53(27-23-51)58-36-46-63(47-37-58)74-65-14-4-8-18-69(65)76-70-19-9-5-15-66(70)74)62-44-34-57(35-45-62)52-24-28-54(29-25-52)59-38-48-64(49-39-59)75-67-16-6-10-20-71(67)77-72-21-11-7-17-68(72)75/h3-49H,1-2H3;1-49H
InChIKeyZMHKVOJUIFHTEJ-UHFFFAOYSA-N
MW2048.61 g/mol
LogP42.64
Rot. Bonds19

About 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

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 (PubChem CID 162159610) has the molecular formula C147H102N6O2S2 and a molecular weight of 2048.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID162159610
Molecular FormulaC147H102N6O2S2
Molecular Weight2048.61 g/mol
Exact Mass2046.75
IUPAC NameN,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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)cc4)cc3)c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)cc4)cc3)c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C75H53N3O2.C72H49N3S2/c1-75(2)65-14-4-3-13-63(65)64-48-47-62(49-66(64)75)76(58-39-31-54(32-40-58)50-23-27-52(28-24-50)56-35-43-60(44-36-56)77-67-15-5-9-19-71(67)79-72-20-10-6-16-68(72)77)59-41-33-55(34-42-59)51-25-29-53(30-26-51)57-37-45-61(46-38-57)78-69-17-7-11-21-73(69)80-74-22-12-8-18-70(74)78;1-2-12-50(13-3-1)55-30-40-60(41-31-55)73(61-42-32-56(33-43-61)51-22-26-53(27-23-51)58-36-46-63(47-37-58)74-65-14-4-8-18-69(65)76-70-19-9-5-15-66(70)74)62-44-34-57(35-45-62)52-24-28-54(29-25-52)59-38-48-64(49-39-59)75-67-16-6-10-20-71(67)77-72-21-11-7-17-68(72)75/h3-49H,1-2H3;1-49H
InChIKeyZMHKVOJUIFHTEJ-UHFFFAOYSA-N
XLogP42.64
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002048.61
LogP ≤ 542.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]acridine;10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 159284639
N-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170656216
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170657044
N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 155428212
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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
CID 90194649
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
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(14-phenyl-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]fluoren-2-amine
CID 129062191

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)cc4)cc3)c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)cc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)cc4)cc3)c3ccc(-c4ccc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is ZMHKVOJUIFHTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H53N3O2.C72H49N3S2/c1-75(2)65-14-4-3-13-63(65)64-48-47-62(49-66(64)75)76(58-39-31-54(32-40-58)50-23-27-52(28-24-50)56-35-43-60(44-36-56)77-67-15-5-9-19-71(67)79-72-20-10-6-16-68(72)77)59-41-33-55(34-42-59)51-25-29-53(30-26-51)57-37-45-61(46-38-57)78-69-17-7-11-21-73(69)80-74-22-12-8-18-70(74)78;1-2-12-50(13-3-1)55-30-40-60(41-31-55)73(61-42-32-56(33-43-61)51-22-26-53(27-23-51)58-36-46-63(47-37-58)74-65-14-4-8-18-69(65)76-70-19-9-5-15-66(70)74)62-44-34-57(35-45-62)52-24-28-54(29-25-52)59-38-48-64(49-39-59)75-67-16-6-10-20-71(67)77-72-21-11-7-17-68(72)75/h3-49H,1-2H3;1-49H.
What are the key properties of 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?
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 has a molecular weight of 2048.61 g/mol, XLogP of 42.64, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162159610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).