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

C115H81N3S3 — CID 157140091

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4ccccc4c3)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c2)cc1
InChIInChI=1S/C40H27NS.C39H29NS.C36H25NS/c1-2-8-28(9-3-1)30-14-20-34(21-15-30)41(36-24-18-29-10-4-5-11-32(29)26-36)35-22-16-31(17-23-35)33-19-25-40-38(27-33)37-12-6-7-13-39(37)42-40;1-39(2)35-14-8-6-12-31(35)32-22-21-30(25-36(32)39)40(28-10-4-3-5-11-28)29-19-16-26(17-20-29)27-18-23-38-34(24-27)33-13-7-9-15-37(33)41-38;1-3-10-26(11-4-1)28-12-9-15-32(24-28)37(30-13-5-2-6-14-30)31-21-18-27(19-22-31)29-20-23-36-34(25-29)33-16-7-8-17-35(33)38-36/h1-27H;3-25H,1-2H3;1-25H
InChIKeyAKBZIDVDXIXXCK-UHFFFAOYSA-N
MW1601.13 g/mol
LogP34.37
Rot. Bonds14

About 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

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 (PubChem CID 157140091) has the molecular formula C115H81N3S3 and a molecular weight of 1601.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157140091
Molecular FormulaC115H81N3S3
Molecular Weight1601.13 g/mol
Exact Mass1599.56
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4ccccc4c3)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c2)cc1
InChIInChI=1S/C40H27NS.C39H29NS.C36H25NS/c1-2-8-28(9-3-1)30-14-20-34(21-15-30)41(36-24-18-29-10-4-5-11-32(29)26-36)35-22-16-31(17-23-35)33-19-25-40-38(27-33)37-12-6-7-13-39(37)42-40;1-39(2)35-14-8-6-12-31(35)32-22-21-30(25-36(32)39)40(28-10-4-3-5-11-28)29-19-16-26(17-20-29)27-18-23-38-34(24-27)33-13-7-9-15-37(33)41-38;1-3-10-26(11-4-1)28-12-9-15-32(24-28)37(30-13-5-2-6-14-30)31-21-18-27(19-22-31)29-20-23-36-34(25-29)33-16-7-8-17-35(33)38-36/h1-27H;3-25H,1-2H3;1-25H
InChIKeyAKBZIDVDXIXXCK-UHFFFAOYSA-N
XLogP34.37
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001601.13
LogP ≤ 534.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323779
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
8-N-(9,9-dimethylfluoren-2-yl)-2-N-phenyl-2-N-(3-phenylphenyl)-8-N-[3-(N-(3-phenylphenyl)anilino)phenyl]dibenzothiophene-2,8-diamine
CID 131979856
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170042861
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine
CID 146437002
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-9-amine
CID 146491380
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-[3-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 158215052
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043365

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4ccccc4c3)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is AKBZIDVDXIXXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NS.C39H29NS.C36H25NS/c1-2-8-28(9-3-1)30-14-20-34(21-15-30)41(36-24-18-29-10-4-5-11-32(29)26-36)35-22-16-31(17-23-35)33-19-25-40-38(27-33)37-12-6-7-13-39(37)42-40;1-39(2)35-14-8-6-12-31(35)32-22-21-30(25-36(32)39)40(28-10-4-3-5-11-28)29-19-16-26(17-20-29)27-18-23-38-34(24-27)33-13-7-9-15-37(33)41-38;1-3-10-26(11-4-1)28-12-9-15-32(24-28)37(30-13-5-2-6-14-30)31-21-18-27(19-22-31)29-20-23-36-34(25-29)33-16-7-8-17-35(33)38-36/h1-27H;3-25H,1-2H3;1-25H.
What are the key properties of 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?
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 has a molecular weight of 1601.13 g/mol, XLogP of 34.37, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157140091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).