6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine

C50H49NS — CID 174315832

IUPAC6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4sc5c(C(C)(C)C)cccc5c4c3)ccc1-2
InChIInChI=1S/C50H49NS/c1-47(2,3)30-18-22-35-37-24-20-33(29-44(37)50(9,10)42(35)26-30)51(32-19-23-36-34-14-11-12-16-40(34)49(7,8)43(36)28-32)31-21-25-45-39(27-31)38-15-13-17-41(46(38)52-45)48(4,5)6/h11-29H,1-10H3
InChIKeyDIEVZUJHDJIKDP-UHFFFAOYSA-N
MW696.02 g/mol
LogP14.73
Rot. Bonds3

About 6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine

6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine (PubChem CID 174315832) has the molecular formula C50H49NS and a molecular weight of 696.02 g/mol. Its IUPAC name is 6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine
PubChem CID174315832
Molecular FormulaC50H49NS
Molecular Weight696.02 g/mol
Exact Mass695.36
IUPAC Name6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4sc5c(C(C)(C)C)cccc5c4c3)ccc1-2
InChIInChI=1S/C50H49NS/c1-47(2,3)30-18-22-35-37-24-20-33(29-44(37)50(9,10)42(35)26-30)51(32-19-23-36-34-14-11-12-16-40(34)49(7,8)43(36)28-32)31-21-25-45-39(27-31)38-15-13-17-41(46(38)52-45)48(4,5)6/h11-29H,1-10H3
InChIKeyDIEVZUJHDJIKDP-UHFFFAOYSA-N
XLogP14.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.02
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-tert-butyl-N-[2-(6-tert-butyldibenzothiophen-4-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315922
N,N-bis(9,9-dimethylfluoren-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-amine
CID 146647948
N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781127
N-[4-[dibenzothiophen-4-yl(diphenyl)methyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 145094342
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-triphenylen-2-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 118405309
N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 168801821
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
6,8-ditert-butyl-N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751229
N-[4-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146647899
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-amine
CID 154697266
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine
CID 176821697

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine?
The IUPAC name of 6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine (CID 174315832) is 6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine.
What is the SMILES notation for 6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine?
The canonical SMILES for 6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4sc5c(C(C)(C)C)cccc5c4c3)ccc1-2.
What is the InChIKey of 6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine?
The InChIKey is DIEVZUJHDJIKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49NS/c1-47(2,3)30-18-22-35-37-24-20-33(29-44(37)50(9,10)42(35)26-30)51(32-19-23-36-34-14-11-12-16-40(34)49(7,8)43(36)28-32)31-21-25-45-39(27-31)38-15-13-17-41(46(38)52-45)48(4,5)6/h11-29H,1-10H3.
What are the key properties of 6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine?
6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine has a molecular weight of 696.02 g/mol, XLogP of 14.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 174315832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).