9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine

C43H31NOS — CID 118134276

IUPAC9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)Sc4ccccc4O5)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C43H31NOS/c1-43(2)36-14-6-5-13-34(36)35-24-23-32(27-37(35)43)44(38-15-9-11-29-10-3-4-12-33(29)38)31-21-18-28(19-22-31)30-20-25-40-42(26-30)46-41-17-8-7-16-39(41)45-40/h3-27H,1-2H3
InChIKeyVRENKIGKBLOQHL-UHFFFAOYSA-N
MW609.79 g/mol
LogP12.54
Rot. Bonds4

About 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine (PubChem CID 118134276) has the molecular formula C43H31NOS and a molecular weight of 609.79 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine
PubChem CID118134276
Molecular FormulaC43H31NOS
Molecular Weight609.79 g/mol
Exact Mass609.21
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)Sc4ccccc4O5)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C43H31NOS/c1-43(2)36-14-6-5-13-34(36)35-24-23-32(27-37(35)43)44(38-15-9-11-29-10-3-4-12-33(29)38)31-21-18-28(19-22-31)30-20-25-40-42(26-30)46-41-17-8-7-16-39(41)45-40/h3-27H,1-2H3
InChIKeyVRENKIGKBLOQHL-UHFFFAOYSA-N
XLogP12.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.79
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118134285
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
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
N-[4-[4-(N-(3,5-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59861267
N-[3-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 165054985
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
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
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine (CID 118134276) is 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)Sc4ccccc4O5)cc3)c3cccc4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine?
The InChIKey is VRENKIGKBLOQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NOS/c1-43(2)36-14-6-5-13-34(36)35-24-23-32(27-37(35)43)44(38-15-9-11-29-10-3-4-12-33(29)38)31-21-18-28(19-22-31)30-20-25-40-42(26-30)46-41-17-8-7-16-39(41)45-40/h3-27H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine?
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine has a molecular weight of 609.79 g/mol, XLogP of 12.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenoxathiin-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 118134276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).