N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine

C148H105N3S3 — CID 160590629

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc(-c5ccccc5)cc4)cc4c3sc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cc(-c4ccc(-c5ccccc5)cc4)cc4c3sc3ccccc34)cc21.c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)c4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C52H35NS.C51H37NS.C45H33NS/c1-3-11-36(12-4-1)39-19-21-42(22-20-39)45-34-49-48-17-9-10-18-51(48)54-52(49)50(35-45)53(46-29-25-40(26-30-46)37-13-5-2-6-14-37)47-31-27-41(28-32-47)44-24-23-38-15-7-8-16-43(38)33-44;1-51(2)45-22-12-9-20-41(45)42-30-29-39(33-46(42)51)52(47-23-13-10-19-40(47)37-17-7-4-8-18-37)48-32-38(31-44-43-21-11-14-24-49(43)53-50(44)48)36-27-25-35(26-28-36)34-15-5-3-6-16-34;1-45(2)40-19-11-9-17-36(40)37-26-25-35(29-41(37)45)46(34-15-7-4-8-16-34)42-28-33(27-39-38-18-10-12-20-43(38)47-44(39)42)32-23-21-31(22-24-32)30-13-5-3-6-14-30/h1-35H;3-33H,1-2H3;3-29H,1-2H3
InChIKeyRCYPQGHLRRPYIG-UHFFFAOYSA-N
MW2021.69 g/mol
LogP43.34
Rot. Bonds18

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 160590629) has the molecular formula C148H105N3S3 and a molecular weight of 2021.69 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine
PubChem CID160590629
Molecular FormulaC148H105N3S3
Molecular Weight2021.69 g/mol
Exact Mass2019.75
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc(-c5ccccc5)cc4)cc4c3sc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cc(-c4ccc(-c5ccccc5)cc4)cc4c3sc3ccccc34)cc21.c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)c4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C52H35NS.C51H37NS.C45H33NS/c1-3-11-36(12-4-1)39-19-21-42(22-20-39)45-34-49-48-17-9-10-18-51(48)54-52(49)50(35-45)53(46-29-25-40(26-30-46)37-13-5-2-6-14-37)47-31-27-41(28-32-47)44-24-23-38-15-7-8-16-43(38)33-44;1-51(2)45-22-12-9-20-41(45)42-30-29-39(33-46(42)51)52(47-23-13-10-19-40(47)37-17-7-4-8-18-37)48-32-38(31-44-43-21-11-14-24-49(43)53-50(44)48)36-27-25-35(26-28-36)34-15-5-3-6-16-34;1-45(2)40-19-11-9-17-36(40)37-26-25-35(29-41(37)45)46(34-15-7-4-8-16-34)42-28-33(27-39-38-18-10-12-20-43(38)47-44(39)42)32-23-21-31(22-24-32)30-13-5-3-6-14-30/h1-35H;3-33H,1-2H3;3-29H,1-2H3
InChIKeyRCYPQGHLRRPYIG-UHFFFAOYSA-N
XLogP43.34
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002021.69
LogP ≤ 543.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-naphthalen-2-yldibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-N-phenyldibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 159884801
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine
CID 140919518
9,9-dimethyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919088
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919142
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 121321643
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277767
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 166566031
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321797
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-(9,9-dimethylfluoren-2-yl)-N-(7,7-dimethyl-9-naphthalen-2-ylbenzo[a]phenalen-1-yl)dibenzothiophen-4-amine
CID 167232236
N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919378
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine (CID 160590629) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc(-c5ccccc5)cc4)cc4c3sc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cc(-c4ccc(-c5ccccc5)cc4)cc4c3sc3ccccc34)cc21.c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)c4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is RCYPQGHLRRPYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS.C51H37NS.C45H33NS/c1-3-11-36(12-4-1)39-19-21-42(22-20-39)45-34-49-48-17-9-10-18-51(48)54-52(49)50(35-45)53(46-29-25-40(26-30-46)37-13-5-2-6-14-37)47-31-27-41(28-32-47)44-24-23-38-15-7-8-16-43(38)33-44;1-51(2)45-22-12-9-20-41(45)42-30-29-39(33-46(42)51)52(47-23-13-10-19-40(47)37-17-7-4-8-18-37)48-32-38(31-44-43-21-11-14-24-49(43)53-50(44)48)36-27-25-35(26-28-36)34-15-5-3-6-16-34;1-45(2)40-19-11-9-17-36(40)37-26-25-35(29-41(37)45)46(34-15-7-4-8-16-34)42-28-33(27-39-38-18-10-12-20-43(38)47-44(39)42)32-23-21-31(22-24-32)30-13-5-3-6-14-30/h1-35H;3-33H,1-2H3;3-29H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 2021.69 g/mol, XLogP of 43.34, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 160590629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).