N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine

C52H41NS — CID 171741024

IUPACN-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
SMILESCC(C)c1cccc2c1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3cccc4sc5ccccc5c34)cc1C2(C)C
InChIInChI=1S/C52H41NS/c1-33(2)39-19-12-20-44-50(39)42-31-29-38(32-45(42)52(44,3)4)53(46-21-13-23-48-51(46)43-18-10-11-22-47(43)54-48)37-27-24-35(25-28-37)41-30-26-34-14-8-9-17-40(34)49(41)36-15-6-5-7-16-36/h5-33H,1-4H3
InChIKeyZCMADHYLIDDQCC-UHFFFAOYSA-N
MW711.97 g/mol
LogP15.44
Rot. Bonds6

About N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine

N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 171741024) has the molecular formula C52H41NS and a molecular weight of 711.97 g/mol. Its IUPAC name is N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
PubChem CID171741024
Molecular FormulaC52H41NS
Molecular Weight711.97 g/mol
Exact Mass711.30
IUPAC NameN-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
SMILESCC(C)c1cccc2c1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3cccc4sc5ccccc5c34)cc1C2(C)C
InChIInChI=1S/C52H41NS/c1-33(2)39-19-12-20-44-50(39)42-31-29-38(32-45(42)52(44,3)4)53(46-21-13-23-48-51(46)43-18-10-11-22-47(43)54-48)37-27-24-35(25-28-37)41-30-26-34-14-8-9-17-40(34)49(41)36-15-6-5-7-16-36/h5-33H,1-4H3
InChIKeyZCMADHYLIDDQCC-UHFFFAOYSA-N
XLogP15.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.97
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)fluoren-2-amine
CID 168807300
9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-5-propan-2-ylfluoren-2-amine
CID 171740959
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 164774642
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-1-amine
CID 135229601
N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine
CID 146295016
9,9-dimethyl-N,5-diphenyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417792
14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 157246234
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 170417565
N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170023651
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-4-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-4-amine;N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 158769199

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine (CID 171741024) is N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine is CC(C)c1cccc2c1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3cccc4sc5ccccc5c34)cc1C2(C)C.
What is the InChIKey of N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is ZCMADHYLIDDQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41NS/c1-33(2)39-19-12-20-44-50(39)42-31-29-38(32-45(42)52(44,3)4)53(46-21-13-23-48-51(46)43-18-10-11-22-47(43)54-48)37-27-24-35(25-28-37)41-30-26-34-14-8-9-17-40(34)49(41)36-15-6-5-7-16-36/h5-33H,1-4H3.
What are the key properties of N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine?
N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 711.97 g/mol, XLogP of 15.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 171741024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).